NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
14447 |
1wr7   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 4}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
3.000 1.100 1.100 peak 4 spectrum 1 weight .10000E+01 volume .10279E-02 ppm1 4.099 ppm2 7.925 CV 1
ASSI { 5}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
2.200 .600 .600 peak 5 spectrum 1 weight .10000E+01 volume .74475E-02 ppm1 4.099 ppm2 8.424 CV 1
ASSI { 6}
(( segid " " and resid 5 and name HG12))
(( segid " " and resid 5 and name HN ))
2.900 1.100 1.100 peak 6 spectrum 1 weight .10000E+01 volume .12174E-02 ppm1 1.380 ppm2 7.926 CV 1
ASSI { 7}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 5 and name HN ))
2.700 .900 .900 peak 7 spectrum 1 weight .10000E+01 volume .19886E-02 ppm1 .819 ppm2 7.926 CV 1
ASSI { 8}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 6 and name HN ))
2.800 1.000 1.000 peak 8 spectrum 1 weight .10000E+01 volume .15959E-02 ppm1 .820 ppm2 8.426 CV 1
ASSI { 9}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HN ))
2.900 1.000 1.000 peak 9 spectrum 1 weight .10000E+01 volume .13695E-02 ppm1 7.922 ppm2 8.422 CV 1
ASSI { 10}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
2.800 1.000 1.000 peak 10 spectrum 1 weight .10000E+01 volume .17045E-02 ppm1 4.296 ppm2 8.421 CV 1
ASSI { 11}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
2.400 .700 .700 peak 11 spectrum 1 weight .10000E+01 volume .37674E-02 ppm1 4.296 ppm2 8.090 CV 1
ASSI { 12}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HN ))
2.800 .900 .900 peak 12 spectrum 1 weight .10000E+01 volume .17415E-02 ppm1 1.938 ppm2 8.426 CV 1
ASSI { 13}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 7 and name HN ))
3.100 1.200 1.200 peak 13 spectrum 1 weight .10000E+01 volume .93424E-03 ppm1 1.938 ppm2 8.088 CV 1
ASSI { 14}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HN ))
2.600 .800 .800 peak 14 spectrum 1 weight .10000E+01 volume .27203E-02 ppm1 1.847 ppm2 8.426 CV 1
ASSI { 15}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 7 and name HN ))
3.200 1.300 1.300 peak 15 spectrum 1 weight .10000E+01 volume .74333E-03 ppm1 1.849 ppm2 8.091 CV 1
ASSI { 16}
(( segid " " and resid 6 and name HE22))
(( segid " " and resid 6 and name HE21))
1.500 .300 .700 peak 16 spectrum 1 weight .10000E+01 volume .57053E-01 ppm1 6.827 ppm2 7.400 CV 1
ASSI { 17}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HE21))
2.600 .900 .900 peak 17 spectrum 1 weight .10000E+01 volume .22751E-02 ppm1 2.225 ppm2 7.400 CV 1
OR { 17}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HE21))
ASSI { 18}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HE22))
3.000 1.100 1.100 peak 18 spectrum 1 weight .10000E+01 volume .97882E-03 ppm1 2.228 ppm2 6.827 CV 1
OR { 18}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HE22))
ASSI { 19}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HN ))
2.700 .900 .900 peak 19 spectrum 1 weight .10000E+01 volume .18051E-02 ppm1 2.225 ppm2 8.424 CV 1
OR { 19}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HN ))
ASSI { 20}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 7 and name HN ))
3.300 1.400 1.400 peak 20 spectrum 1 weight .10000E+01 volume .58951E-03 ppm1 2.225 ppm2 8.095 CV 1
OR { 20}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 7 and name HN ))
ASSI { 21}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
2.500 .800 .800 peak 21 spectrum 1 weight .10000E+01 volume .29247E-02 ppm1 4.322 ppm2 8.090 CV 1
ASSI { 22}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.300 .700 .700 peak 22 spectrum 1 weight .10000E+01 volume .51114E-02 ppm1 4.323 ppm2 7.999 CV 1
ASSI { 23}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HN ))
2.400 .700 .700 peak 23 spectrum 1 weight .10000E+01 volume .36243E-02 ppm1 3.681 ppm2 8.091 CV 1
OR { 23}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HN ))
ASSI { 24}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.500 .800 .800 peak 24 spectrum 1 weight .10000E+01 volume .30795E-02 ppm1 3.681 ppm2 7.999 CV 1
OR { 24}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
ASSI { 25}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HN ))
3.000 1.200 1.200 peak 25 spectrum 1 weight .10000E+01 volume .94701E-03 ppm1 8.089 ppm2 8.422 CV 1
ASSI { 26}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HD% )
3.100 1.200 1.200 peak 26 spectrum 1 weight .10000E+01 volume .91740E-03 ppm1 4.595 ppm2 7.216 CV 1
ASSI { 27}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
3.000 1.100 1.100 peak 27 spectrum 1 weight .10000E+01 volume .10673E-02 ppm1 4.592 ppm2 8.001 CV 1
ASSI { 28}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.700 .900 .900 peak 28 spectrum 1 weight .10000E+01 volume .19383E-02 ppm1 4.590 ppm2 8.432 CV 1
ASSI { 29}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 8 and name HD% )
2.500 .800 .800 peak 29 spectrum 1 weight .10000E+01 volume .32987E-02 ppm1 3.153 ppm2 7.216 CV 1
ASSI { 30}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.700 .900 .900 peak 30 spectrum 1 weight .10000E+01 volume .20390E-02 ppm1 3.151 ppm2 7.998 CV 1
ASSI { 31}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
2.700 .900 .900 peak 31 spectrum 1 weight .10000E+01 volume .20559E-02 ppm1 3.151 ppm2 8.433 CV 1
ASSI { 32}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 8 and name HD% )
2.400 .700 .700 peak 32 spectrum 1 weight .10000E+01 volume .39061E-02 ppm1 2.913 ppm2 7.217 CV 1
ASSI { 33}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 8 and name HE% )
3.300 1.300 1.300 peak 33 spectrum 1 weight .10000E+01 volume .60982E-03 ppm1 2.914 ppm2 7.274 CV 1
ASSI { 34}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
2.500 .800 .800 peak 34 spectrum 1 weight .10000E+01 volume .32299E-02 ppm1 2.912 ppm2 7.999 CV 1
ASSI { 35}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
2.800 .900 .900 peak 35 spectrum 1 weight .10000E+01 volume .17472E-02 ppm1 2.917 ppm2 8.433 CV 1
ASSI { 36}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 8 and name HN ))
2.600 .900 .900 peak 36 spectrum 1 weight .10000E+01 volume .22500E-02 ppm1 7.212 ppm2 8.000 CV 1
ASSI { 37}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 9 and name HN ))
3.100 1.200 1.200 peak 37 spectrum 1 weight .10000E+01 volume .78958E-03 ppm1 7.211 ppm2 8.432 CV 1
ASSI { 38}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
2.800 1.000 1.000 peak 38 spectrum 1 weight .10000E+01 volume .14399E-02 ppm1 8.000 ppm2 8.431 CV 1
ASSI { 39}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
3.000 1.100 1.100 peak 39 spectrum 1 weight .10000E+01 volume .11287E-02 ppm1 4.219 ppm2 8.432 CV 1
ASSI { 40}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HN ))
2.400 .700 .700 peak 40 spectrum 1 weight .10000E+01 volume .39808E-02 ppm1 1.711 ppm2 8.434 CV 1
ASSI { 41}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 13 and name HD1 ))
2.200 .600 .600 peak 41 spectrum 1 weight .10000E+01 volume .58475E-02 ppm1 1.718 ppm2 7.031 CV 1
ASSI { 42}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 13 and name HE1 ))
2.900 1.000 1.000 peak 42 spectrum 1 weight .10000E+01 volume .13245E-02 ppm1 1.718 ppm2 10.267 CV 1
ASSI { 43}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 13 and name HN ))
3.200 1.300 1.300 peak 43 spectrum 1 weight .10000E+01 volume .65140E-03 ppm1 1.711 ppm2 7.823 CV 1
ASSI { 44}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HN ))
2.600 .900 .900 peak 44 spectrum 1 weight .10000E+01 volume .23712E-02 ppm1 1.381 ppm2 8.431 CV 1
ASSI { 45}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 13 and name HD1 ))
3.300 1.300 1.300 peak 45 spectrum 1 weight .10000E+01 volume .62481E-03 ppm1 1.380 ppm2 7.030 CV 1
ASSI { 46}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 13 and name HN ))
3.400 1.400 1.400 peak 46 spectrum 1 weight .10000E+01 volume .50497E-03 ppm1 1.381 ppm2 7.825 CV 1
ASSI { 47}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 9 and name HN ))
2.600 .900 .900 peak 47 spectrum 1 weight .10000E+01 volume .23165E-02 ppm1 1.019 ppm2 8.433 CV 1
ASSI { 48}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 13 and name HE3 ))
3.000 1.100 1.100 peak 48 spectrum 1 weight .10000E+01 volume .11233E-02 ppm1 1.020 ppm2 7.280 CV 1
ASSI { 49}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 13 and name HN ))
3.400 1.400 1.400 peak 49 spectrum 1 weight .10000E+01 volume .48822E-03 ppm1 1.020 ppm2 7.825 CV 1
ASSI { 50}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 14 and name HN ))
3.400 1.400 1.400 peak 50 spectrum 1 weight .10000E+01 volume .49175E-03 ppm1 1.021 ppm2 9.329 CV 1
ASSI { 51}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 15 and name HN ))
2.500 .800 .800 peak 51 spectrum 1 weight .10000E+01 volume .28823E-02 ppm1 1.019 ppm2 8.891 CV 1
ASSI { 52}
( segid " " and resid 9 and name HD1%)
( segid " " and resid 25 and name HD% )
2.400 .700 .700 peak 52 spectrum 1 weight .10000E+01 volume .40652E-02 ppm1 1.021 ppm2 7.029 CV 1
ASSI { 53}
( segid " " and resid 9 and name HD1%)
( segid " " and resid 25 and name HE% )
2.600 .800 .800 peak 53 spectrum 1 weight .10000E+01 volume .27369E-02 ppm1 1.021 ppm2 7.195 CV 1
ASSI { 54}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 25 and name HZ ))
3.100 1.200 1.200 peak 54 spectrum 1 weight .10000E+01 volume .91316E-03 ppm1 1.019 ppm2 7.242 CV 1
ASSI { 55}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 9 and name HN ))
2.700 .900 .900 peak 55 spectrum 1 weight .10000E+01 volume .17920E-02 ppm1 .774 ppm2 8.433 CV 1
ASSI { 56}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 13 and name HE3 ))
2.800 1.000 1.000 peak 56 spectrum 1 weight .10000E+01 volume .14731E-02 ppm1 .773 ppm2 7.281 CV 1
ASSI { 57}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 13 and name HN ))
3.600 1.700 1.700 peak 57 spectrum 1 weight .10000E+01 volume .32766E-03 ppm1 .775 ppm2 7.825 CV 1
ASSI { 58}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 14 and name HN ))
3.700 1.700 1.700 peak 58 spectrum 1 weight .10000E+01 volume .30567E-03 ppm1 .776 ppm2 9.328 CV 1
ASSI { 59}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 15 and name HN ))
3.300 1.400 1.400 peak 59 spectrum 1 weight .10000E+01 volume .54920E-03 ppm1 .773 ppm2 8.891 CV 1
ASSI { 60}
( segid " " and resid 9 and name HD2%)
( segid " " and resid 25 and name HD% )
2.300 .600 .600 peak 60 spectrum 1 weight .10000E+01 volume .55172E-02 ppm1 .774 ppm2 7.029 CV 1
ASSI { 61}
( segid " " and resid 9 and name HD2%)
( segid " " and resid 25 and name HE% )
2.300 .700 .700 peak 61 spectrum 1 weight .10000E+01 volume .46826E-02 ppm1 .774 ppm2 7.195 CV 1
ASSI { 62}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 25 and name HZ ))
2.800 1.000 1.000 peak 62 spectrum 1 weight .10000E+01 volume .15863E-02 ppm1 .772 ppm2 7.242 CV 1
ASSI { 63}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 39 and name HE ))
2.900 1.000 1.000 peak 63 spectrum 1 weight .10000E+01 volume .12927E-02 ppm1 .773 ppm2 8.727 CV 1
ASSI { 64}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 39 and name HH12))
3.600 1.600 1.600 peak 64 spectrum 1 weight .10000E+01 volume .37606E-03 ppm1 .773 ppm2 6.682 CV 1
OR { 64}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 39 and name HH11))
OR { 64}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 39 and name HH21))
OR { 64}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 39 and name HH22))
ASSI { 65}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 39 and name HN ))
2.900 1.100 1.100 peak 65 spectrum 1 weight .10000E+01 volume .12336E-02 ppm1 .773 ppm2 8.277 CV 1
ASSI { 66}
(( segid " " and resid 9 and name HG ))
(( segid " " and resid 9 and name HN ))
2.400 .700 .700 peak 66 spectrum 1 weight .10000E+01 volume .40927E-02 ppm1 1.679 ppm2 8.433 CV 1
ASSI { 67}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 13 and name HD1 ))
2.700 .900 .900 peak 67 spectrum 1 weight .10000E+01 volume .20410E-02 ppm1 2.228 ppm2 7.031 CV 1
ASSI { 68}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 13 and name HE1 ))
3.400 1.500 1.500 peak 68 spectrum 1 weight .10000E+01 volume .44980E-03 ppm1 2.226 ppm2 10.265 CV 1
ASSI { 69}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 13 and name HD1 ))
2.800 1.000 1.000 peak 69 spectrum 1 weight .10000E+01 volume .15826E-02 ppm1 1.856 ppm2 7.034 CV 1
ASSI { 70}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 13 and name HE1 ))
3.600 1.600 1.600 peak 70 spectrum 1 weight .10000E+01 volume .36258E-03 ppm1 1.853 ppm2 10.266 CV 1
ASSI { 71}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 13 and name HD1 ))
2.600 .800 .800 peak 71 spectrum 1 weight .10000E+01 volume .24074E-02 ppm1 3.219 ppm2 7.030 CV 1
ASSI { 72}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 13 and name HE1 ))
3.300 1.400 1.400 peak 72 spectrum 1 weight .10000E+01 volume .59036E-03 ppm1 3.223 ppm2 10.266 CV 1
ASSI { 73}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 13 and name HD1 ))
2.700 .900 .900 peak 73 spectrum 1 weight .10000E+01 volume .20802E-02 ppm1 2.609 ppm2 7.031 CV 1
ASSI { 74}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 13 and name HE1 ))
3.600 1.600 1.600 peak 74 spectrum 1 weight .10000E+01 volume .37631E-03 ppm1 2.609 ppm2 10.266 CV 1
ASSI { 75}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 13 and name HN ))
3.500 1.500 1.500 peak 75 spectrum 1 weight .10000E+01 volume .43874E-03 ppm1 2.607 ppm2 7.823 CV 1
ASSI { 76}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 13 and name HE1 ))
3.300 1.400 1.400 peak 76 spectrum 1 weight .10000E+01 volume .58286E-03 ppm1 1.541 ppm2 10.266 CV 1
ASSI { 77}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 13 and name HD1 ))
2.600 .800 .800 peak 77 spectrum 1 weight .10000E+01 volume .26736E-02 ppm1 1.157 ppm2 7.031 CV 1
ASSI { 78}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 13 and name HE1 ))
3.100 1.200 1.200 peak 78 spectrum 1 weight .10000E+01 volume .83706E-03 ppm1 1.145 ppm2 10.266 CV 1
ASSI { 79}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 79 spectrum 1 weight .10000E+01 volume .15198E-02 ppm1 4.287 ppm2 8.913 CV 1
ASSI { 80}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 13 and name HN ))
3.200 1.300 1.300 peak 80 spectrum 1 weight .10000E+01 volume .69581E-03 ppm1 4.282 ppm2 7.824 CV 1
ASSI { 81}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.700 .900 .900 peak 81 spectrum 1 weight .10000E+01 volume .17810E-02 ppm1 2.292 ppm2 8.912 CV 1
ASSI { 82}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 12 and name HN ))
3.000 1.100 1.100 peak 82 spectrum 1 weight .10000E+01 volume .10470E-02 ppm1 1.902 ppm2 8.912 CV 1
ASSI { 83}
(( segid " " and resid 12 and name HA2 ))
(( segid " " and resid 12 and name HN ))
2.200 .600 .600 peak 83 spectrum 1 weight .10000E+01 volume .75339E-02 ppm1 4.373 ppm2 8.913 CV 1
ASSI { 84}
(( segid " " and resid 12 and name HA2 ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 84 spectrum 1 weight .10000E+01 volume .15081E-02 ppm1 4.372 ppm2 7.822 CV 1
ASSI { 87}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HE3 ))
2.900 1.100 1.100 peak 87 spectrum 1 weight .10000E+01 volume .12204E-02 ppm1 5.766 ppm2 7.281 CV 1
ASSI { 88}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 88 spectrum 1 weight .10000E+01 volume .14769E-02 ppm1 5.768 ppm2 7.825 CV 1
ASSI { 89}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
2.300 .700 .700 peak 89 spectrum 1 weight .10000E+01 volume .50251E-02 ppm1 5.766 ppm2 9.325 CV 1
ASSI { 90}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 28 and name HN ))
2.700 .900 .900 peak 90 spectrum 1 weight .10000E+01 volume .19618E-02 ppm1 5.766 ppm2 8.764 CV 1
ASSI { 91}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HD1 ))
2.500 .800 .800 peak 91 spectrum 1 weight .10000E+01 volume .33190E-02 ppm1 3.297 ppm2 7.029 CV 1
ASSI { 92}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HE1 ))
3.400 1.500 1.500 peak 92 spectrum 1 weight .10000E+01 volume .46982E-03 ppm1 3.295 ppm2 10.265 CV 1
ASSI { 93}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HE3 ))
2.700 .900 .900 peak 93 spectrum 1 weight .10000E+01 volume .19845E-02 ppm1 3.284 ppm2 7.280 CV 1
ASSI { 94}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
2.500 .800 .800 peak 94 spectrum 1 weight .10000E+01 volume .32073E-02 ppm1 3.287 ppm2 7.822 CV 1
ASSI { 95}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.100 1.200 1.200 peak 95 spectrum 1 weight .10000E+01 volume .86809E-03 ppm1 3.287 ppm2 9.327 CV 1
ASSI { 96}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HD1 ))
2.700 .900 .900 peak 96 spectrum 1 weight .10000E+01 volume .17985E-02 ppm1 3.003 ppm2 7.030 CV 1
ASSI { 97}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HE1 ))
3.700 1.700 1.700 peak 97 spectrum 1 weight .10000E+01 volume .29642E-03 ppm1 3.011 ppm2 10.264 CV 1
ASSI { 98}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HE3 ))
2.600 .800 .800 peak 98 spectrum 1 weight .10000E+01 volume .27048E-02 ppm1 3.003 ppm2 7.280 CV 1
ASSI { 99}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
2.600 .800 .800 peak 99 spectrum 1 weight .10000E+01 volume .24577E-02 ppm1 3.005 ppm2 7.822 CV 1
ASSI { 100}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 100 spectrum 1 weight .10000E+01 volume .15420E-02 ppm1 3.003 ppm2 9.326 CV 1
ASSI { 101}
(( segid " " and resid 13 and name HD1 ))
(( segid " " and resid 13 and name HE1 ))
2.000 .500 .500 peak 101 spectrum 1 weight .10000E+01 volume .10304E-01 ppm1 7.028 ppm2 10.267 CV 1
ASSI { 102}
(( segid " " and resid 13 and name HD1 ))
(( segid " " and resid 13 and name HN ))
2.500 .800 .800 peak 102 spectrum 1 weight .10000E+01 volume .34677E-02 ppm1 7.029 ppm2 7.822 CV 1
ASSI { 103}
(( segid " " and resid 13 and name HD1 ))
(( segid " " and resid 29 and name HD21))
2.800 1.000 1.000 peak 103 spectrum 1 weight .10000E+01 volume .15293E-02 ppm1 7.030 ppm2 8.014 CV 1
ASSI { 104}
(( segid " " and resid 13 and name HD1 ))
(( segid " " and resid 29 and name HD22))
2.800 1.000 1.000 peak 104 spectrum 1 weight .10000E+01 volume .14215E-02 ppm1 7.028 ppm2 7.708 CV 1
ASSI { 105}
(( segid " " and resid 13 and name HE3 ))
(( segid " " and resid 14 and name HN ))
3.100 1.200 1.200 peak 105 spectrum 1 weight .10000E+01 volume .84609E-03 ppm1 7.277 ppm2 9.325 CV 1
ASSI { 106}
(( segid " " and resid 13 and name HE3 ))
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 106 spectrum 1 weight .10000E+01 volume .70675E-03 ppm1 7.278 ppm2 9.151 CV 1
ASSI { 107}
(( segid " " and resid 13 and name HH2 ))
(( segid " " and resid 13 and name HE3 ))
2.400 .700 .700 peak 107 spectrum 1 weight .10000E+01 volume .38840E-02 ppm1 7.092 ppm2 7.283 CV 1
ASSI { 108}
(( segid " " and resid 13 and name HH2 ))
(( segid " " and resid 13 and name HZ2 ))
2.000 .500 .500 peak 108 spectrum 1 weight .10000E+01 volume .12631E-01 ppm1 7.092 ppm2 7.375 CV 1
ASSI { 109}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HN ))
2.600 .800 .800 peak 109 spectrum 1 weight .10000E+01 volume .25921E-02 ppm1 7.826 ppm2 8.913 CV 1
ASSI { 110}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HE1 ))
3.500 1.600 1.600 peak 110 spectrum 1 weight .10000E+01 volume .38221E-03 ppm1 7.829 ppm2 10.268 CV 1
ASSI { 111}
(( segid " " and resid 13 and name HZ2 ))
(( segid " " and resid 13 and name HE1 ))
2.200 .600 .600 peak 111 spectrum 1 weight .10000E+01 volume .60489E-02 ppm1 7.372 ppm2 10.266 CV 1
ASSI { 112}
(( segid " " and resid 13 and name HZ3 ))
(( segid " " and resid 13 and name HE3 ))
2.100 .600 .600 peak 112 spectrum 1 weight .10000E+01 volume .77552E-02 ppm1 6.786 ppm2 7.283 CV 1
ASSI { 113}
(( segid " " and resid 13 and name HZ3 ))
(( segid " " and resid 13 and name HH2 ))
2.200 .600 .600 peak 113 spectrum 1 weight .10000E+01 volume .67844E-02 ppm1 6.786 ppm2 7.093 CV 1
ASSI { 114}
(( segid " " and resid 13 and name HZ3 ))
(( segid " " and resid 13 and name HZ2 ))
2.700 .900 .900 peak 114 spectrum 1 weight .10000E+01 volume .20873E-02 ppm1 6.786 ppm2 7.374 CV 1
ASSI { 115}
(( segid " " and resid 13 and name HZ3 ))
(( segid " " and resid 26 and name HN ))
3.400 1.400 1.400 peak 115 spectrum 1 weight .10000E+01 volume .49986E-03 ppm1 6.783 ppm2 9.152 CV 1
ASSI { 116}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.900 1.100 1.100 peak 116 spectrum 1 weight .10000E+01 volume .12392E-02 ppm1 4.750 ppm2 9.331 CV 1
ASSI { 117}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
2.300 .600 .600 peak 117 spectrum 1 weight .10000E+01 volume .55681E-02 ppm1 4.750 ppm2 8.886 CV 1
ASSI { 118}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.700 .900 .900 peak 118 spectrum 1 weight .10000E+01 volume .18420E-02 ppm1 2.050 ppm2 9.327 CV 1
ASSI { 119}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
2.500 .800 .800 peak 119 spectrum 1 weight .10000E+01 volume .30352E-02 ppm1 2.054 ppm2 8.886 CV 1
ASSI { 120}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 26 and name HN ))
3.300 1.300 1.300 peak 120 spectrum 1 weight .10000E+01 volume .62434E-03 ppm1 2.050 ppm2 9.148 CV 1
ASSI { 121}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 28 and name HD2 ))
2.300 .700 .700 peak 121 spectrum 1 weight .10000E+01 volume .53708E-02 ppm1 2.049 ppm2 7.042 CV 1
ASSI { 122}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 28 and name HE1 ))
3.300 1.300 1.300 peak 122 spectrum 1 weight .10000E+01 volume .62933E-03 ppm1 2.055 ppm2 8.303 CV 1
ASSI { 123}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
2.900 1.100 1.100 peak 123 spectrum 1 weight .10000E+01 volume .12616E-02 ppm1 2.000 ppm2 9.326 CV 1
ASSI { 124}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.300 1.400 1.400 peak 124 spectrum 1 weight .10000E+01 volume .57113E-03 ppm1 2.001 ppm2 9.148 CV 1
ASSI { 125}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 28 and name HD2 ))
2.600 .800 .800 peak 125 spectrum 1 weight .10000E+01 volume .25886E-02 ppm1 2.000 ppm2 7.042 CV 1
ASSI { 126}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 28 and name HE1 ))
3.600 1.600 1.600 peak 126 spectrum 1 weight .10000E+01 volume .34095E-03 ppm1 2.001 ppm2 8.303 CV 1
ASSI { 127}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 14 and name HN ))
3.500 1.600 1.600 peak 127 spectrum 1 weight .10000E+01 volume .38066E-03 ppm1 2.313 ppm2 9.325 CV 1
OR { 127}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HN ))
ASSI { 128}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 15 and name HN ))
2.900 1.000 1.000 peak 128 spectrum 1 weight .10000E+01 volume .13814E-02 ppm1 2.310 ppm2 8.886 CV 1
OR { 128}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 15 and name HN ))
ASSI { 129}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 28 and name HD2 ))
2.800 1.000 1.000 peak 129 spectrum 1 weight .10000E+01 volume .16384E-02 ppm1 2.307 ppm2 7.041 CV 1
OR { 129}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 28 and name HD2 ))
ASSI { 130}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
3.000 1.200 1.200 peak 130 spectrum 1 weight .10000E+01 volume .95102E-03 ppm1 4.868 ppm2 8.886 CV 1
ASSI { 131}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.500 .800 .800 peak 131 spectrum 1 weight .10000E+01 volume .28620E-02 ppm1 4.867 ppm2 8.368 CV 1
ASSI { 132}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 25 and name HD% )
3.100 1.200 1.200 peak 132 spectrum 1 weight .10000E+01 volume .79510E-03 ppm1 4.865 ppm2 7.028 CV 1
ASSI { 133}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 26 and name HN ))
3.400 1.400 1.400 peak 133 spectrum 1 weight .10000E+01 volume .52122E-03 ppm1 4.869 ppm2 9.150 CV 1
ASSI { 134}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.900 1.000 1.000 peak 134 spectrum 1 weight .10000E+01 volume .13530E-02 ppm1 1.998 ppm2 8.371 CV 1
ASSI { 135}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 25 and name HE% )
2.500 .800 .800 peak 135 spectrum 1 weight .10000E+01 volume .28011E-02 ppm1 2.000 ppm2 7.195 CV 1
ASSI { 136}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 25 and name HZ ))
2.800 1.000 1.000 peak 136 spectrum 1 weight .10000E+01 volume .15447E-02 ppm1 2.000 ppm2 7.244 CV 1
ASSI { 137}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
2.700 .900 .900 peak 137 spectrum 1 weight .10000E+01 volume .21798E-02 ppm1 1.762 ppm2 8.884 CV 1
ASSI { 138}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
2.900 1.100 1.100 peak 138 spectrum 1 weight .10000E+01 volume .11606E-02 ppm1 1.762 ppm2 8.370 CV 1
ASSI { 139}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 25 and name HE% )
2.600 .800 .800 peak 139 spectrum 1 weight .10000E+01 volume .24842E-02 ppm1 1.762 ppm2 7.195 CV 1
ASSI { 140}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HN ))
2.900 1.100 1.100 peak 140 spectrum 1 weight .10000E+01 volume .12035E-02 ppm1 1.883 ppm2 8.885 CV 1
OR { 140}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HN ))
ASSI { 141}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 16 and name HN ))
2.600 .800 .800 peak 141 spectrum 1 weight .10000E+01 volume .25598E-02 ppm1 1.885 ppm2 8.373 CV 1
OR { 141}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 16 and name HN ))
ASSI { 142}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 24 and name HN ))
2.900 1.100 1.100 peak 142 spectrum 1 weight .10000E+01 volume .12048E-02 ppm1 1.884 ppm2 8.783 CV 1
OR { 142}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 24 and name HN ))
ASSI { 143}
(( segid " " and resid 15 and name HG2 ))
( segid " " and resid 25 and name HE% )
2.600 .800 .800 peak 143 spectrum 1 weight .10000E+01 volume .26425E-02 ppm1 1.883 ppm2 7.195 CV 1
OR { 143}
(( segid " " and resid 15 and name HG3 ))
( segid " " and resid 25 and name HE% )
ASSI { 144}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.800 1.000 1.000 peak 144 spectrum 1 weight .10000E+01 volume .16000E-02 ppm1 4.337 ppm2 8.367 CV 1
ASSI { 145}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.000 .500 .500 peak 145 spectrum 1 weight .10000E+01 volume .10849E-01 ppm1 4.338 ppm2 8.137 CV 1
ASSI { 146}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HE ))
2.900 1.100 1.100 peak 146 spectrum 1 weight .10000E+01 volume .12527E-02 ppm1 1.267 ppm2 7.058 CV 1
ASSI { 147}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.700 .900 .900 peak 147 spectrum 1 weight .10000E+01 volume .20487E-02 ppm1 1.270 ppm2 8.367 CV 1
ASSI { 148}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
2.300 .700 .700 peak 148 spectrum 1 weight .10000E+01 volume .51655E-02 ppm1 1.273 ppm2 8.139 CV 1
ASSI { 149}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 24 and name HE% )
2.700 .900 .900 peak 149 spectrum 1 weight .10000E+01 volume .18353E-02 ppm1 1.268 ppm2 6.787 CV 1
ASSI { 150}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 24 and name HN ))
3.500 1.500 1.500 peak 150 spectrum 1 weight .10000E+01 volume .44236E-03 ppm1 1.271 ppm2 8.782 CV 1
ASSI { 151}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
2.700 .900 .900 peak 151 spectrum 1 weight .10000E+01 volume .18057E-02 ppm1 .262 ppm2 8.367 CV 1
ASSI { 152}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 152 spectrum 1 weight .10000E+01 volume .16804E-02 ppm1 .262 ppm2 8.142 CV 1
ASSI { 153}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 24 and name HD% )
3.200 1.300 1.300 peak 153 spectrum 1 weight .10000E+01 volume .67662E-03 ppm1 .255 ppm2 6.646 CV 1
ASSI { 154}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 24 and name HE% )
2.900 1.100 1.100 peak 154 spectrum 1 weight .10000E+01 volume .12017E-02 ppm1 .264 ppm2 6.787 CV 1
ASSI { 155}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.400 1.500 1.500 peak 155 spectrum 1 weight .10000E+01 volume .46524E-03 ppm1 .263 ppm2 8.778 CV 1
ASSI { 156}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 24 and name HZ ))
2.900 1.100 1.100 peak 156 spectrum 1 weight .10000E+01 volume .11955E-02 ppm1 .263 ppm2 7.042 CV 1
ASSI { 157}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HE ))
2.900 1.100 1.100 peak 157 spectrum 1 weight .10000E+01 volume .11919E-02 ppm1 3.097 ppm2 7.063 CV 1
ASSI { 158}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HE ))
2.800 1.000 1.000 peak 158 spectrum 1 weight .10000E+01 volume .15161E-02 ppm1 2.893 ppm2 7.063 CV 1
ASSI { 159}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 159 spectrum 1 weight .10000E+01 volume .77599E-03 ppm1 2.884 ppm2 8.136 CV 1
ASSI { 160}
(( segid " " and resid 16 and name HD3 ))
( segid " " and resid 24 and name HE% )
3.300 1.300 1.300 peak 160 spectrum 1 weight .10000E+01 volume .60027E-03 ppm1 2.892 ppm2 6.784 CV 1
ASSI { 161}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HE ))
3.000 1.100 1.100 peak 161 spectrum 1 weight .10000E+01 volume .99599E-03 ppm1 1.114 ppm2 7.058 CV 1
OR { 161}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HE ))
ASSI { 162}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HN ))
3.100 1.200 1.200 peak 162 spectrum 1 weight .10000E+01 volume .81703E-03 ppm1 1.114 ppm2 8.367 CV 1
OR { 162}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HN ))
ASSI { 163}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 17 and name HN ))
2.900 1.100 1.100 peak 163 spectrum 1 weight .10000E+01 volume .11540E-02 ppm1 1.115 ppm2 8.141 CV 1
OR { 163}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 17 and name HN ))
ASSI { 164}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 24 and name HE% )
3.200 1.300 1.300 peak 164 spectrum 1 weight .10000E+01 volume .71572E-03 ppm1 1.115 ppm2 6.786 CV 1
OR { 164}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 24 and name HE% )
ASSI { 165}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 24 and name HN ))
2.700 .900 .900 peak 165 spectrum 1 weight .10000E+01 volume .19140E-02 ppm1 8.369 ppm2 8.788 CV 1
ASSI { 166}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
2.000 .500 .500 peak 166 spectrum 1 weight .10000E+01 volume .13550E-01 ppm1 4.319 ppm2 8.137 CV 1
ASSI { 167}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
2.300 .700 .700 peak 167 spectrum 1 weight .10000E+01 volume .48671E-02 ppm1 4.322 ppm2 8.853 CV 1
ASSI { 168}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 168 spectrum 1 weight .10000E+01 volume .16986E-02 ppm1 4.320 ppm2 8.779 CV 1
ASSI { 169}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 17 and name HN ))
2.300 .700 .700 peak 169 spectrum 1 weight .10000E+01 volume .49675E-02 ppm1 1.777 ppm2 8.139 CV 1
ASSI { 170}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 18 and name HN ))
2.900 1.100 1.100 peak 170 spectrum 1 weight .10000E+01 volume .11765E-02 ppm1 1.783 ppm2 8.856 CV 1
ASSI { 171}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 24 and name HN ))
3.300 1.400 1.400 peak 171 spectrum 1 weight .10000E+01 volume .53721E-03 ppm1 1.775 ppm2 8.785 CV 1
ASSI { 172}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 17 and name HN ))
2.900 1.100 1.100 peak 172 spectrum 1 weight .10000E+01 volume .12605E-02 ppm1 .629 ppm2 8.142 CV 1
ASSI { 173}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 18 and name HN ))
2.800 1.000 1.000 peak 173 spectrum 1 weight .10000E+01 volume .16736E-02 ppm1 .631 ppm2 8.854 CV 1
ASSI { 174}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 174 spectrum 1 weight .10000E+01 volume .14581E-02 ppm1 .630 ppm2 8.783 CV 1
ASSI { 175}
(( segid " " and resid 17 and name HG12))
(( segid " " and resid 17 and name HN ))
2.700 .900 .900 peak 175 spectrum 1 weight .10000E+01 volume .18567E-02 ppm1 1.325 ppm2 8.140 CV 1
ASSI { 176}
(( segid " " and resid 17 and name HG12))
(( segid " " and resid 18 and name HN ))
3.600 1.700 1.700 peak 176 spectrum 1 weight .10000E+01 volume .32054E-03 ppm1 1.319 ppm2 8.850 CV 1
ASSI { 177}
(( segid " " and resid 17 and name HG13))
(( segid " " and resid 17 and name HN ))
2.600 .800 .800 peak 177 spectrum 1 weight .10000E+01 volume .26478E-02 ppm1 1.173 ppm2 8.141 CV 1
ASSI { 178}
(( segid " " and resid 17 and name HG13))
(( segid " " and resid 18 and name HN ))
3.300 1.400 1.400 peak 178 spectrum 1 weight .10000E+01 volume .55738E-03 ppm1 1.173 ppm2 8.852 CV 1
ASSI { 179}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 17 and name HN ))
2.500 .800 .800 peak 179 spectrum 1 weight .10000E+01 volume .28613E-02 ppm1 .864 ppm2 8.140 CV 1
ASSI { 180}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 18 and name HN ))
2.400 .700 .700 peak 180 spectrum 1 weight .10000E+01 volume .43590E-02 ppm1 .862 ppm2 8.853 CV 1
ASSI { 181}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 20 and name HN ))
3.400 1.500 1.500 peak 181 spectrum 1 weight .10000E+01 volume .47323E-03 ppm1 .862 ppm2 7.509 CV 1
ASSI { 182}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 21 and name HN ))
2.400 .700 .700 peak 182 spectrum 1 weight .10000E+01 volume .36039E-02 ppm1 .864 ppm2 8.580 CV 1
ASSI { 183}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 22 and name HN ))
2.800 1.000 1.000 peak 183 spectrum 1 weight .10000E+01 volume .15514E-02 ppm1 .862 ppm2 7.708 CV 1
ASSI { 184}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 24 and name HN ))
3.200 1.200 1.200 peak 184 spectrum 1 weight .10000E+01 volume .77038E-03 ppm1 .863 ppm2 8.784 CV 1
ASSI { 185}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
3.900 1.900 1.900 peak 185 spectrum 1 weight .10000E+01 volume .22239E-03 ppm1 4.615 ppm2 8.857 CV 1
ASSI { 186}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 18 and name HN ))
2.200 .600 .600 peak 186 spectrum 1 weight .10000E+01 volume .67710E-02 ppm1 1.852 ppm2 8.853 CV 1
ASSI { 187}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 20 and name HN ))
2.400 .700 .700 peak 187 spectrum 1 weight .10000E+01 volume .36714E-02 ppm1 1.853 ppm2 7.510 CV 1
ASSI { 188}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 188 spectrum 1 weight .10000E+01 volume .15203E-02 ppm1 1.851 ppm2 8.580 CV 1
ASSI { 189}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 22 and name HN ))
2.400 .700 .700 peak 189 spectrum 1 weight .10000E+01 volume .35176E-02 ppm1 1.852 ppm2 7.709 CV 1
ASSI { 190}
( segid " " and resid 18 and name HB% )
( segid " " and resid 24 and name HD% )
2.400 .700 .700 peak 190 spectrum 1 weight .10000E+01 volume .39868E-02 ppm1 1.852 ppm2 6.646 CV 1
ASSI { 191}
( segid " " and resid 18 and name HB% )
( segid " " and resid 24 and name HE% )
2.600 .800 .800 peak 191 spectrum 1 weight .10000E+01 volume .26030E-02 ppm1 1.853 ppm2 6.786 CV 1
ASSI { 192}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 24 and name HN ))
2.900 1.100 1.100 peak 192 spectrum 1 weight .10000E+01 volume .11612E-02 ppm1 1.854 ppm2 8.783 CV 1
ASSI { 193}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 35 and name HE3 ))
2.900 1.100 1.100 peak 193 spectrum 1 weight .10000E+01 volume .12086E-02 ppm1 1.853 ppm2 8.156 CV 1
ASSI { 194}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 35 and name HH2 ))
2.300 .700 .700 peak 194 spectrum 1 weight .10000E+01 volume .50252E-02 ppm1 1.850 ppm2 6.936 CV 1
ASSI { 195}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 35 and name HZ2 ))
2.800 1.000 1.000 peak 195 spectrum 1 weight .10000E+01 volume .14825E-02 ppm1 1.854 ppm2 7.294 CV 1
ASSI { 196}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 35 and name HZ3 ))
2.400 .700 .700 peak 196 spectrum 1 weight .10000E+01 volume .44692E-02 ppm1 1.851 ppm2 7.013 CV 1
ASSI { 197}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
3.000 1.100 1.100 peak 197 spectrum 1 weight .10000E+01 volume .10683E-02 ppm1 4.329 ppm2 7.511 CV 1
ASSI { 198}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 198 spectrum 1 weight .10000E+01 volume .16560E-02 ppm1 4.327 ppm2 8.580 CV 1
ASSI { 199}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
3.200 1.300 1.300 peak 199 spectrum 1 weight .10000E+01 volume .70685E-03 ppm1 2.381 ppm2 7.509 CV 1
OR { 199}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 200}
(( segid " " and resid 19 and name HD2 ))
(( segid " " and resid 20 and name HN ))
3.500 1.500 1.500 peak 200 spectrum 1 weight .10000E+01 volume .43224E-03 ppm1 3.643 ppm2 7.507 CV 1
ASSI { 201}
(( segid " " and resid 19 and name HD3 ))
(( segid " " and resid 20 and name HN ))
3.300 1.400 1.400 peak 201 spectrum 1 weight .10000E+01 volume .56851E-03 ppm1 3.540 ppm2 7.507 CV 1
ASSI { 202}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
3.300 1.400 1.400 peak 202 spectrum 1 weight .10000E+01 volume .54400E-03 ppm1 4.580 ppm2 7.509 CV 1
ASSI { 203}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HD21))
2.700 .900 .900 peak 203 spectrum 1 weight .10000E+01 volume .19659E-02 ppm1 3.217 ppm2 7.356 CV 1
ASSI { 204}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HD22))
3.300 1.400 1.400 peak 204 spectrum 1 weight .10000E+01 volume .59592E-03 ppm1 3.216 ppm2 6.026 CV 1
ASSI { 205}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.900 1.000 1.000 peak 205 spectrum 1 weight .10000E+01 volume .13660E-02 ppm1 3.217 ppm2 7.508 CV 1
ASSI { 206}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HD21))
2.700 .900 .900 peak 206 spectrum 1 weight .10000E+01 volume .20746E-02 ppm1 2.822 ppm2 7.354 CV 1
ASSI { 207}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HD22))
3.300 1.400 1.400 peak 207 spectrum 1 weight .10000E+01 volume .57015E-03 ppm1 2.820 ppm2 6.024 CV 1
ASSI { 208}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.800 .900 .900 peak 208 spectrum 1 weight .10000E+01 volume .17408E-02 ppm1 2.818 ppm2 7.507 CV 1
ASSI { 209}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.400 1.500 1.500 peak 209 spectrum 1 weight .10000E+01 volume .47206E-03 ppm1 2.810 ppm2 8.580 CV 1
ASSI { 210}
(( segid " " and resid 20 and name HD21))
(( segid " " and resid 20 and name HN ))
3.700 1.700 1.700 peak 210 spectrum 1 weight .10000E+01 volume .30054E-03 ppm1 7.351 ppm2 7.510 CV 1
ASSI { 211}
(( segid " " and resid 20 and name HD22))
(( segid " " and resid 20 and name HD21))
1.900 .400 .400 peak 211 spectrum 1 weight .10000E+01 volume .16412E-01 ppm1 6.024 ppm2 7.353 CV 1
ASSI { 212}
(( segid " " and resid 20 and name HD22))
(( segid " " and resid 20 and name HN ))
3.500 1.500 1.500 peak 212 spectrum 1 weight .10000E+01 volume .43322E-03 ppm1 6.024 ppm2 7.509 CV 1
ASSI { 213}
(( segid " " and resid 20 and name HD22))
(( segid " " and resid 35 and name HH2 ))
3.300 1.400 1.400 peak 213 spectrum 1 weight .10000E+01 volume .58515E-03 ppm1 6.024 ppm2 6.936 CV 1
ASSI { 214}
(( segid " " and resid 20 and name HD22))
(( segid " " and resid 35 and name HZ2 ))
3.200 1.300 1.300 peak 214 spectrum 1 weight .10000E+01 volume .74201E-03 ppm1 6.024 ppm2 7.295 CV 1
ASSI { 215}
(( segid " " and resid 20 and name HD22))
(( segid " " and resid 35 and name HZ3 ))
3.700 1.700 1.700 peak 215 spectrum 1 weight .10000E+01 volume .29317E-03 ppm1 6.025 ppm2 7.015 CV 1
ASSI { 216}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
2.400 .700 .700 peak 216 spectrum 1 weight .10000E+01 volume .35211E-02 ppm1 7.510 ppm2 8.580 CV 1
ASSI { 217}
(( segid " " and resid 21 and name HA2 ))
(( segid " " and resid 21 and name HN ))
2.600 .800 .800 peak 217 spectrum 1 weight .10000E+01 volume .24061E-02 ppm1 4.281 ppm2 8.580 CV 1
ASSI { 218}
(( segid " " and resid 21 and name HA2 ))
(( segid " " and resid 22 and name HN ))
2.800 1.000 1.000 peak 218 spectrum 1 weight .10000E+01 volume .15783E-02 ppm1 4.283 ppm2 7.706 CV 1
ASSI { 221}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
3.000 1.100 1.100 peak 221 spectrum 1 weight .10000E+01 volume .10508E-02 ppm1 4.777 ppm2 7.709 CV 1
ASSI { 222}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.200 1.300 1.300 peak 222 spectrum 1 weight .10000E+01 volume .71052E-03 ppm1 1.792 ppm2 8.584 CV 1
OR { 222}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 223}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
2.400 .700 .700 peak 223 spectrum 1 weight .10000E+01 volume .42994E-02 ppm1 1.800 ppm2 7.709 CV 1
OR { 223}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
ASSI { 224}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 35 and name HE3 ))
2.600 .900 .900 peak 224 spectrum 1 weight .10000E+01 volume .23603E-02 ppm1 1.799 ppm2 8.156 CV 1
OR { 224}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 35 and name HE3 ))
ASSI { 225}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 35 and name HH2 ))
3.200 1.300 1.300 peak 225 spectrum 1 weight .10000E+01 volume .72493E-03 ppm1 1.794 ppm2 6.936 CV 1
OR { 225}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 35 and name HH2 ))
ASSI { 226}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 35 and name HZ3 ))
2.600 .900 .900 peak 226 spectrum 1 weight .10000E+01 volume .23408E-02 ppm1 1.793 ppm2 7.013 CV 1
OR { 226}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 35 and name HZ3 ))
ASSI { 227}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HE ))
2.900 1.100 1.100 peak 227 spectrum 1 weight .10000E+01 volume .12094E-02 ppm1 2.872 ppm2 7.073 CV 1
ASSI { 228}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HN ))
3.500 1.500 1.500 peak 228 spectrum 1 weight .10000E+01 volume .41957E-03 ppm1 2.867 ppm2 7.709 CV 1
ASSI { 229}
(( segid " " and resid 22 and name HD3 ))
(( segid " " and resid 22 and name HE ))
3.200 1.300 1.300 peak 229 spectrum 1 weight .10000E+01 volume .70661E-03 ppm1 2.586 ppm2 7.073 CV 1
ASSI { 230}
(( segid " " and resid 22 and name HD3 ))
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 230 spectrum 1 weight .10000E+01 volume .34511E-03 ppm1 2.585 ppm2 7.706 CV 1
ASSI { 231}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HN ))
2.500 .800 .800 peak 231 spectrum 1 weight .10000E+01 volume .31973E-02 ppm1 2.007 ppm2 7.708 CV 1
ASSI { 232}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 35 and name HE3 ))
2.800 1.000 1.000 peak 232 spectrum 1 weight .10000E+01 volume .15995E-02 ppm1 2.006 ppm2 8.156 CV 1
ASSI { 233}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 35 and name HH2 ))
3.200 1.300 1.300 peak 233 spectrum 1 weight .10000E+01 volume .66369E-03 ppm1 2.008 ppm2 6.938 CV 1
ASSI { 234}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 35 and name HZ3 ))
2.600 .900 .900 peak 234 spectrum 1 weight .10000E+01 volume .22325E-02 ppm1 2.008 ppm2 7.013 CV 1
ASSI { 235}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 22 and name HN ))
2.800 1.000 1.000 peak 235 spectrum 1 weight .10000E+01 volume .16044E-02 ppm1 1.630 ppm2 7.708 CV 1
ASSI { 236}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 35 and name HH2 ))
3.700 1.700 1.700 peak 236 spectrum 1 weight .10000E+01 volume .30958E-03 ppm1 1.631 ppm2 6.937 CV 1
ASSI { 237}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 35 and name HZ3 ))
3.300 1.400 1.400 peak 237 spectrum 1 weight .10000E+01 volume .59815E-03 ppm1 1.632 ppm2 7.014 CV 1
ASSI { 238}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 18 and name HN ))
3.200 1.300 1.300 peak 238 spectrum 1 weight .10000E+01 volume .72722E-03 ppm1 7.708 ppm2 8.852 CV 1
ASSI { 239}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HN ))
3.000 1.100 1.100 peak 239 spectrum 1 weight .10000E+01 volume .97245E-03 ppm1 7.710 ppm2 7.511 CV 1
ASSI { 240}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.400 .700 .700 peak 240 spectrum 1 weight .10000E+01 volume .42585E-02 ppm1 7.707 ppm2 8.580 CV 1
ASSI { 241}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 18 and name HN ))
2.800 1.000 1.000 peak 241 spectrum 1 weight .10000E+01 volume .16600E-02 ppm1 5.079 ppm2 8.854 CV 1
ASSI { 242}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.300 .700 .700 peak 242 spectrum 1 weight .10000E+01 volume .48272E-02 ppm1 5.079 ppm2 8.782 CV 1
ASSI { 243}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.600 .800 .800 peak 243 spectrum 1 weight .10000E+01 volume .24373E-02 ppm1 2.032 ppm2 8.782 CV 1
ASSI { 244}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 25 and name HE% )
2.800 1.000 1.000 peak 244 spectrum 1 weight .10000E+01 volume .15928E-02 ppm1 2.036 ppm2 7.195 CV 1
ASSI { 245}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 25 and name HZ ))
2.900 1.000 1.000 peak 245 spectrum 1 weight .10000E+01 volume .13182E-02 ppm1 2.038 ppm2 7.243 CV 1
ASSI { 246}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 246 spectrum 1 weight .10000E+01 volume .14850E-02 ppm1 1.634 ppm2 8.782 CV 1
ASSI { 247}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 25 and name HE% )
2.800 .900 .900 peak 247 spectrum 1 weight .10000E+01 volume .17277E-02 ppm1 1.641 ppm2 7.195 CV 1
ASSI { 248}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 25 and name HZ ))
2.700 .900 .900 peak 248 spectrum 1 weight .10000E+01 volume .17748E-02 ppm1 1.641 ppm2 7.246 CV 1
ASSI { 249}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 249 spectrum 1 weight .10000E+01 volume .37327E-03 ppm1 4.095 ppm2 7.707 CV 1
ASSI { 250}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 22 and name HN ))
2.900 1.100 1.100 peak 250 spectrum 1 weight .10000E+01 volume .11777E-02 ppm1 3.816 ppm2 7.707 CV 1
ASSI { 251}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.700 .900 .900 peak 251 spectrum 1 weight .10000E+01 volume .20314E-02 ppm1 4.724 ppm2 8.789 CV 1
ASSI { 252}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
2.900 1.100 1.100 peak 252 spectrum 1 weight .10000E+01 volume .12342E-02 ppm1 4.723 ppm2 8.803 CV 1
ASSI { 253}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 24 and name HD% )
2.500 .800 .800 peak 253 spectrum 1 weight .10000E+01 volume .28808E-02 ppm1 2.518 ppm2 6.646 CV 1
ASSI { 254}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 35 and name HE3 ))
2.900 1.000 1.000 peak 254 spectrum 1 weight .10000E+01 volume .14057E-02 ppm1 2.518 ppm2 8.156 CV 1
ASSI { 255}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 35 and name HZ3 ))
3.000 1.100 1.100 peak 255 spectrum 1 weight .10000E+01 volume .11368E-02 ppm1 2.518 ppm2 7.015 CV 1
ASSI { 256}
(( segid " " and resid 24 and name HB3 ))
( segid " " and resid 24 and name HD% )
2.500 .800 .800 peak 256 spectrum 1 weight .10000E+01 volume .30285E-02 ppm1 2.277 ppm2 6.646 CV 1
ASSI { 257}
(( segid " " and resid 24 and name HB3 ))
( segid " " and resid 24 and name HE% )
3.400 1.500 1.500 peak 257 spectrum 1 weight .10000E+01 volume .46538E-03 ppm1 2.277 ppm2 6.780 CV 1
ASSI { 258}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.600 .900 .900 peak 258 spectrum 1 weight .10000E+01 volume .23806E-02 ppm1 2.276 ppm2 8.785 CV 1
ASSI { 259}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
2.600 .900 .900 peak 259 spectrum 1 weight .10000E+01 volume .22469E-02 ppm1 2.275 ppm2 8.798 CV 1
ASSI { 260}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 35 and name HE3 ))
2.900 1.000 1.000 peak 260 spectrum 1 weight .10000E+01 volume .13715E-02 ppm1 2.279 ppm2 8.157 CV 1
ASSI { 261}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 35 and name HZ3 ))
3.000 1.100 1.100 peak 261 spectrum 1 weight .10000E+01 volume .11161E-02 ppm1 2.276 ppm2 7.015 CV 1
ASSI { 262}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 18 and name HN ))
2.800 1.000 1.000 peak 262 spectrum 1 weight .10000E+01 volume .15704E-02 ppm1 6.640 ppm2 8.855 CV 1
ASSI { 263}
( segid " " and resid 24 and name HD% )
( segid " " and resid 24 and name HE% )
1.900 .500 .500 peak 263 spectrum 1 weight .10000E+01 volume .14007E-01 ppm1 6.642 ppm2 6.787 CV 1
ASSI { 264}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 24 and name HN ))
2.500 .800 .800 peak 264 spectrum 1 weight .10000E+01 volume .33164E-02 ppm1 6.641 ppm2 8.789 CV 1
ASSI { 265}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 24 and name HZ ))
2.500 .800 .800 peak 265 spectrum 1 weight .10000E+01 volume .34513E-02 ppm1 6.642 ppm2 7.036 CV 1
ASSI { 266}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 35 and name HE3 ))
3.000 1.100 1.100 peak 266 spectrum 1 weight .10000E+01 volume .10569E-02 ppm1 6.643 ppm2 8.157 CV 1
ASSI { 267}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 35 and name HH2 ))
3.000 1.100 1.100 peak 267 spectrum 1 weight .10000E+01 volume .97919E-03 ppm1 6.644 ppm2 6.935 CV 1
ASSI { 268}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 35 and name HZ3 ))
2.800 1.000 1.000 peak 268 spectrum 1 weight .10000E+01 volume .16729E-02 ppm1 6.644 ppm2 7.015 CV 1
ASSI { 269}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 18 and name HN ))
3.100 1.200 1.200 peak 269 spectrum 1 weight .10000E+01 volume .90862E-03 ppm1 6.784 ppm2 8.855 CV 1
ASSI { 270}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 24 and name HN ))
3.100 1.200 1.200 peak 270 spectrum 1 weight .10000E+01 volume .92525E-03 ppm1 6.783 ppm2 8.789 CV 1
ASSI { 271}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 24 and name HZ ))
1.900 .500 .500 peak 271 spectrum 1 weight .10000E+01 volume .14660E-01 ppm1 6.787 ppm2 7.036 CV 1
ASSI { 272}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 35 and name HE3 ))
3.300 1.400 1.400 peak 272 spectrum 1 weight .10000E+01 volume .59837E-03 ppm1 6.788 ppm2 8.157 CV 1
ASSI { 273}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 13 and name HE3 ))
3.200 1.300 1.300 peak 273 spectrum 1 weight .10000E+01 volume .64455E-03 ppm1 5.264 ppm2 7.280 CV 1
ASSI { 274}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 13 and name HZ3 ))
3.400 1.400 1.400 peak 274 spectrum 1 weight .10000E+01 volume .48425E-03 ppm1 5.264 ppm2 6.789 CV 1
ASSI { 275}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 16 and name HN ))
3.200 1.300 1.300 peak 275 spectrum 1 weight .10000E+01 volume .73257E-03 ppm1 5.261 ppm2 8.371 CV 1
ASSI { 276}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 25 and name HD% )
2.600 .900 .900 peak 276 spectrum 1 weight .10000E+01 volume .23668E-02 ppm1 5.261 ppm2 7.028 CV 1
ASSI { 277}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 25 and name HE% )
3.500 1.500 1.500 peak 277 spectrum 1 weight .10000E+01 volume .39667E-03 ppm1 5.266 ppm2 7.195 CV 1
ASSI { 278}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
3.300 1.400 1.400 peak 278 spectrum 1 weight .10000E+01 volume .54323E-03 ppm1 5.265 ppm2 8.801 CV 1
ASSI { 279}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
2.400 .700 .700 peak 279 spectrum 1 weight .10000E+01 volume .41105E-02 ppm1 5.261 ppm2 9.148 CV 1
ASSI { 280}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 13 and name HE3 ))
2.200 .600 .600 peak 280 spectrum 1 weight .10000E+01 volume .62008E-02 ppm1 3.161 ppm2 7.280 CV 1
OR { 280}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 13 and name HE3 ))
ASSI { 281}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 13 and name HH2 ))
3.100 1.200 1.200 peak 281 spectrum 1 weight .10000E+01 volume .82762E-03 ppm1 3.160 ppm2 7.093 CV 1
OR { 281}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 13 and name HH2 ))
ASSI { 282}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 13 and name HZ3 ))
2.400 .700 .700 peak 282 spectrum 1 weight .10000E+01 volume .41293E-02 ppm1 3.160 ppm2 6.786 CV 1
OR { 282}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 13 and name HZ3 ))
ASSI { 283}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 25 and name HD% )
2.100 .500 .500 peak 283 spectrum 1 weight .10000E+01 volume .99461E-02 ppm1 3.160 ppm2 7.028 CV 1
OR { 283}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 25 and name HD% )
ASSI { 284}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 25 and name HE% )
2.800 1.000 1.000 peak 284 spectrum 1 weight .10000E+01 volume .15917E-02 ppm1 3.161 ppm2 7.195 CV 1
OR { 284}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 25 and name HE% )
ASSI { 285}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
2.600 .800 .800 peak 285 spectrum 1 weight .10000E+01 volume .27287E-02 ppm1 3.161 ppm2 8.796 CV 1
OR { 285}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HN ))
ASSI { 286}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HN ))
2.700 .900 .900 peak 286 spectrum 1 weight .10000E+01 volume .17737E-02 ppm1 3.162 ppm2 9.146 CV 1
OR { 286}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
ASSI { 287}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 287 spectrum 1 weight .10000E+01 volume .79977E-03 ppm1 3.161 ppm2 9.184 CV 1
OR { 287}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 34 and name HN ))
ASSI { 288}
( segid " " and resid 25 and name HD% )
( segid " " and resid 25 and name HE% )
1.900 .500 .500 peak 288 spectrum 1 weight .10000E+01 volume .16103E-01 ppm1 7.029 ppm2 7.195 CV 1
ASSI { 289}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 25 and name HZ ))
2.300 .700 .700 peak 289 spectrum 1 weight .10000E+01 volume .46756E-02 ppm1 7.030 ppm2 7.244 CV 1
ASSI { 290}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 26 and name HN ))
3.000 1.100 1.100 peak 290 spectrum 1 weight .10000E+01 volume .10212E-02 ppm1 7.027 ppm2 9.151 CV 1
ASSI { 291}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 37 and name HN ))
2.900 1.100 1.100 peak 291 spectrum 1 weight .10000E+01 volume .12251E-02 ppm1 7.029 ppm2 8.135 CV 1
ASSI { 292}
( segid " " and resid 25 and name HE% )
(( segid " " and resid 24 and name HN ))
3.100 1.200 1.200 peak 292 spectrum 1 weight .10000E+01 volume .89207E-03 ppm1 7.190 ppm2 8.790 CV 1
ASSI { 293}
( segid " " and resid 25 and name HE% )
(( segid " " and resid 37 and name HN ))
2.900 1.100 1.100 peak 293 spectrum 1 weight .10000E+01 volume .12428E-02 ppm1 7.194 ppm2 8.137 CV 1
ASSI { 294}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 294 spectrum 1 weight .10000E+01 volume .78001E-03 ppm1 8.795 ppm2 9.183 CV 1
ASSI { 295}
(( segid " " and resid 25 and name HZ ))
(( segid " " and resid 37 and name HN ))
3.200 1.200 1.200 peak 295 spectrum 1 weight .10000E+01 volume .76223E-03 ppm1 7.247 ppm2 8.135 CV 1
ASSI { 296}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 296 spectrum 1 weight .10000E+01 volume .69788E-03 ppm1 4.254 ppm2 9.150 CV 1
ASSI { 297}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
2.400 .700 .700 peak 297 spectrum 1 weight .10000E+01 volume .38218E-02 ppm1 4.254 ppm2 8.176 CV 1
ASSI { 298}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 34 and name HN ))
3.400 1.500 1.500 peak 298 spectrum 1 weight .10000E+01 volume .47446E-03 ppm1 4.254 ppm2 9.182 CV 1
ASSI { 299}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 14 and name HN ))
3.000 1.100 1.100 peak 299 spectrum 1 weight .10000E+01 volume .10209E-02 ppm1 1.255 ppm2 9.328 CV 1
ASSI { 300}
(( segid " " and resid 26 and name HB ))
( segid " " and resid 24 and name HE% )
2.700 .900 .900 peak 300 spectrum 1 weight .10000E+01 volume .18353E-02 ppm1 1.269 ppm2 6.787 CV 1
ASSI { 301}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 26 and name HN ))
2.600 .900 .900 peak 301 spectrum 1 weight .10000E+01 volume .22000E-02 ppm1 1.255 ppm2 9.149 CV 1
ASSI { 302}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 28 and name HE1 ))
3.100 1.200 1.200 peak 302 spectrum 1 weight .10000E+01 volume .88233E-03 ppm1 1.258 ppm2 8.301 CV 1
ASSI { 303}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 14 and name HN ))
3.300 1.400 1.400 peak 303 spectrum 1 weight .10000E+01 volume .55028E-03 ppm1 .023 ppm2 9.327 CV 1
ASSI { 304}
( segid " " and resid 26 and name HD1%)
( segid " " and resid 24 and name HD% )
3.400 1.400 1.400 peak 304 spectrum 1 weight .10000E+01 volume .50877E-03 ppm1 .028 ppm2 6.646 CV 1
ASSI { 305}
( segid " " and resid 26 and name HD1%)
( segid " " and resid 24 and name HE% )
3.200 1.300 1.300 peak 305 spectrum 1 weight .10000E+01 volume .71735E-03 ppm1 .026 ppm2 6.788 CV 1
ASSI { 306}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 26 and name HN ))
3.000 1.100 1.100 peak 306 spectrum 1 weight .10000E+01 volume .11088E-02 ppm1 .023 ppm2 9.150 CV 1
ASSI { 307}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 27 and name HN ))
2.600 .800 .800 peak 307 spectrum 1 weight .10000E+01 volume .27314E-02 ppm1 .025 ppm2 8.174 CV 1
ASSI { 308}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 28 and name HD2 ))
2.500 .800 .800 peak 308 spectrum 1 weight .10000E+01 volume .28654E-02 ppm1 .025 ppm2 7.042 CV 1
ASSI { 309}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 28 and name HE1 ))
2.200 .600 .600 peak 309 spectrum 1 weight .10000E+01 volume .60458E-02 ppm1 .024 ppm2 8.303 CV 1
ASSI { 310}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 28 and name HN ))
3.000 1.100 1.100 peak 310 spectrum 1 weight .10000E+01 volume .10804E-02 ppm1 .022 ppm2 8.765 CV 1
ASSI { 311}
(( segid " " and resid 26 and name HG12))
( segid " " and resid 24 and name HD% )
2.900 1.100 1.100 peak 311 spectrum 1 weight .10000E+01 volume .12627E-02 ppm1 1.171 ppm2 6.648 CV 1
ASSI { 312}
(( segid " " and resid 26 and name HG12))
( segid " " and resid 24 and name HE% )
2.900 1.000 1.000 peak 312 spectrum 1 weight .10000E+01 volume .13287E-02 ppm1 1.169 ppm2 6.786 CV 1
ASSI { 313}
(( segid " " and resid 26 and name HG12))
(( segid " " and resid 26 and name HN ))
2.900 1.100 1.100 peak 313 spectrum 1 weight .10000E+01 volume .12599E-02 ppm1 1.165 ppm2 9.148 CV 1
ASSI { 314}
(( segid " " and resid 26 and name HG13))
( segid " " and resid 24 and name HD% )
3.100 1.200 1.200 peak 314 spectrum 1 weight .10000E+01 volume .90929E-03 ppm1 .785 ppm2 6.646 CV 1
ASSI { 315}
(( segid " " and resid 26 and name HG13))
( segid " " and resid 24 and name HE% )
2.800 1.000 1.000 peak 315 spectrum 1 weight .10000E+01 volume .14859E-02 ppm1 .784 ppm2 6.787 CV 1
ASSI { 316}
(( segid " " and resid 26 and name HG13))
(( segid " " and resid 26 and name HN ))
3.100 1.200 1.200 peak 316 spectrum 1 weight .10000E+01 volume .86508E-03 ppm1 .785 ppm2 9.149 CV 1
ASSI { 317}
(( segid " " and resid 26 and name HG13))
(( segid " " and resid 28 and name HE1 ))
3.300 1.400 1.400 peak 317 spectrum 1 weight .10000E+01 volume .54763E-03 ppm1 .790 ppm2 8.301 CV 1
ASSI { 318}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 14 and name HN ))
3.600 1.600 1.600 peak 318 spectrum 1 weight .10000E+01 volume .37415E-03 ppm1 .548 ppm2 9.331 CV 1
ASSI { 319}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 16 and name HE ))
3.100 1.200 1.200 peak 319 spectrum 1 weight .10000E+01 volume .86779E-03 ppm1 .547 ppm2 7.054 CV 1
ASSI { 320}
( segid " " and resid 26 and name HG2%)
( segid " " and resid 24 and name HD% )
2.900 1.000 1.000 peak 320 spectrum 1 weight .10000E+01 volume .13730E-02 ppm1 .548 ppm2 6.646 CV 1
ASSI { 321}
( segid " " and resid 26 and name HG2%)
( segid " " and resid 24 and name HE% )
2.500 .800 .800 peak 321 spectrum 1 weight .10000E+01 volume .29926E-02 ppm1 .548 ppm2 6.787 CV 1
ASSI { 322}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 26 and name HN ))
3.000 1.100 1.100 peak 322 spectrum 1 weight .10000E+01 volume .10431E-02 ppm1 .547 ppm2 9.150 CV 1
ASSI { 323}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 27 and name HN ))
3.500 1.500 1.500 peak 323 spectrum 1 weight .10000E+01 volume .44007E-03 ppm1 .548 ppm2 8.172 CV 1
ASSI { 324}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 28 and name HD2 ))
2.700 .900 .900 peak 324 spectrum 1 weight .10000E+01 volume .17980E-02 ppm1 .547 ppm2 7.040 CV 1
ASSI { 325}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 28 and name HE1 ))
2.600 .800 .800 peak 325 spectrum 1 weight .10000E+01 volume .26234E-02 ppm1 .549 ppm2 8.303 CV 1
ASSI { 326}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 326 spectrum 1 weight .10000E+01 volume .14737E-02 ppm1 9.151 ppm2 9.326 CV 1
ASSI { 327}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 13 and name HE3 ))
3.600 1.700 1.700 peak 327 spectrum 1 weight .10000E+01 volume .32486E-03 ppm1 3.569 ppm2 7.281 CV 1
ASSI { 328}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 13 and name HZ2 ))
3.500 1.600 1.600 peak 328 spectrum 1 weight .10000E+01 volume .39091E-03 ppm1 3.566 ppm2 7.378 CV 1
ASSI { 329}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 14 and name HN ))
3.200 1.300 1.300 peak 329 spectrum 1 weight .10000E+01 volume .65931E-03 ppm1 3.569 ppm2 9.328 CV 1
ASSI { 330}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.900 1.100 1.100 peak 330 spectrum 1 weight .10000E+01 volume .11503E-02 ppm1 3.569 ppm2 8.173 CV 1
ASSI { 331}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HD2 ))
3.200 1.300 1.300 peak 331 spectrum 1 weight .10000E+01 volume .74447E-03 ppm1 3.569 ppm2 7.041 CV 1
ASSI { 332}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
2.200 .600 .600 peak 332 spectrum 1 weight .10000E+01 volume .62967E-02 ppm1 3.567 ppm2 8.765 CV 1
ASSI { 333}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 29 and name HN ))
3.000 1.100 1.100 peak 333 spectrum 1 weight .10000E+01 volume .11187E-02 ppm1 3.567 ppm2 8.401 CV 1
ASSI { 334}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 13 and name HE1 ))
3.600 1.600 1.600 peak 334 spectrum 1 weight .10000E+01 volume .33701E-03 ppm1 1.997 ppm2 10.270 CV 1
ASSI { 335}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 13 and name HE3 ))
3.200 1.200 1.200 peak 335 spectrum 1 weight .10000E+01 volume .76749E-03 ppm1 1.997 ppm2 7.283 CV 1
ASSI { 336}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 13 and name HZ2 ))
2.800 1.000 1.000 peak 336 spectrum 1 weight .10000E+01 volume .15266E-02 ppm1 1.995 ppm2 7.373 CV 1
ASSI { 337}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
2.600 .800 .800 peak 337 spectrum 1 weight .10000E+01 volume .24042E-02 ppm1 1.995 ppm2 8.174 CV 1
ASSI { 338}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HN ))
3.000 1.200 1.200 peak 338 spectrum 1 weight .10000E+01 volume .95667E-03 ppm1 1.998 ppm2 8.767 CV 1
ASSI { 339}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 13 and name HE1 ))
3.700 1.700 1.700 peak 339 spectrum 1 weight .10000E+01 volume .28368E-03 ppm1 .099 ppm2 10.265 CV 1
ASSI { 340}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 13 and name HH2 ))
3.300 1.400 1.400 peak 340 spectrum 1 weight .10000E+01 volume .54438E-03 ppm1 .102 ppm2 7.092 CV 1
ASSI { 341}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 13 and name HZ2 ))
3.000 1.100 1.100 peak 341 spectrum 1 weight .10000E+01 volume .10479E-02 ppm1 .102 ppm2 7.374 CV 1
ASSI { 342}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 342 spectrum 1 weight .10000E+01 volume .16475E-02 ppm1 .101 ppm2 8.174 CV 1
ASSI { 343}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.500 1.500 1.500 peak 343 spectrum 1 weight .10000E+01 volume .42671E-03 ppm1 .104 ppm2 8.765 CV 1
ASSI { 344}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 344 spectrum 1 weight .10000E+01 volume .15133E-02 ppm1 4.203 ppm2 8.766 CV 1
ASSI { 345}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
3.200 1.300 1.300 peak 345 spectrum 1 weight .10000E+01 volume .71480E-03 ppm1 4.203 ppm2 8.402 CV 1
ASSI { 346}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 31 and name HN ))
3.200 1.300 1.300 peak 346 spectrum 1 weight .10000E+01 volume .71120E-03 ppm1 4.202 ppm2 7.920 CV 1
ASSI { 347}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HD2 ))
2.500 .800 .800 peak 347 spectrum 1 weight .10000E+01 volume .34124E-02 ppm1 3.440 ppm2 7.042 CV 1
ASSI { 348}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.600 .800 .800 peak 348 spectrum 1 weight .10000E+01 volume .25589E-02 ppm1 3.437 ppm2 8.765 CV 1
ASSI { 349}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
3.200 1.300 1.300 peak 349 spectrum 1 weight .10000E+01 volume .69299E-03 ppm1 3.439 ppm2 8.400 CV 1
ASSI { 350}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HD2 ))
2.400 .700 .700 peak 350 spectrum 1 weight .10000E+01 volume .37042E-02 ppm1 3.127 ppm2 7.042 CV 1
ASSI { 351}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
2.600 .800 .800 peak 351 spectrum 1 weight .10000E+01 volume .25302E-02 ppm1 3.126 ppm2 8.765 CV 1
ASSI { 352}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 29 and name HN ))
3.500 1.500 1.500 peak 352 spectrum 1 weight .10000E+01 volume .41625E-03 ppm1 3.126 ppm2 8.403 CV 1
ASSI { 353}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 14 and name HN ))
3.000 1.100 1.100 peak 353 spectrum 1 weight .10000E+01 volume .10643E-02 ppm1 7.036 ppm2 9.324 CV 1
ASSI { 354}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HE1 ))
2.900 1.100 1.100 peak 354 spectrum 1 weight .10000E+01 volume .12721E-02 ppm1 7.040 ppm2 8.302 CV 1
ASSI { 355}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HN ))
2.600 .800 .800 peak 355 spectrum 1 weight .10000E+01 volume .26890E-02 ppm1 7.036 ppm2 8.767 CV 1
ASSI { 356}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HD21))
2.900 1.100 1.100 peak 356 spectrum 1 weight .10000E+01 volume .11666E-02 ppm1 4.434 ppm2 8.015 CV 1
ASSI { 357}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HD22))
3.400 1.400 1.400 peak 357 spectrum 1 weight .10000E+01 volume .49745E-03 ppm1 4.436 ppm2 7.706 CV 1
ASSI { 358}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.500 .800 .800 peak 358 spectrum 1 weight .10000E+01 volume .30118E-02 ppm1 4.436 ppm2 8.402 CV 1
ASSI { 359}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
3.200 1.300 1.300 peak 359 spectrum 1 weight .10000E+01 volume .68821E-03 ppm1 4.437 ppm2 6.649 CV 1
ASSI { 360}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HD21))
2.400 .700 .700 peak 360 spectrum 1 weight .10000E+01 volume .39307E-02 ppm1 3.218 ppm2 8.016 CV 1
ASSI { 361}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HD22))
2.800 1.000 1.000 peak 361 spectrum 1 weight .10000E+01 volume .17025E-02 ppm1 3.218 ppm2 7.706 CV 1
ASSI { 362}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
2.400 .700 .700 peak 362 spectrum 1 weight .10000E+01 volume .35475E-02 ppm1 3.218 ppm2 8.402 CV 1
ASSI { 363}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 30 and name HN ))
3.000 1.100 1.100 peak 363 spectrum 1 weight .10000E+01 volume .10381E-02 ppm1 3.219 ppm2 6.651 CV 1
ASSI { 364}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 31 and name HN ))
3.400 1.500 1.500 peak 364 spectrum 1 weight .10000E+01 volume .45462E-03 ppm1 3.219 ppm2 7.911 CV 1
ASSI { 365}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HD21))
2.500 .800 .800 peak 365 spectrum 1 weight .10000E+01 volume .30894E-02 ppm1 2.697 ppm2 8.016 CV 1
ASSI { 366}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HD22))
2.900 1.100 1.100 peak 366 spectrum 1 weight .10000E+01 volume .11825E-02 ppm1 2.698 ppm2 7.704 CV 1
ASSI { 367}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HN ))
2.500 .800 .800 peak 367 spectrum 1 weight .10000E+01 volume .31033E-02 ppm1 2.697 ppm2 8.402 CV 1
ASSI { 368}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.100 1.200 1.200 peak 368 spectrum 1 weight .10000E+01 volume .89484E-03 ppm1 2.695 ppm2 6.652 CV 1
ASSI { 369}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 31 and name HN ))
3.500 1.500 1.500 peak 369 spectrum 1 weight .10000E+01 volume .44240E-03 ppm1 2.700 ppm2 7.914 CV 1
ASSI { 370}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 13 and name HE1 ))
2.900 1.100 1.100 peak 370 spectrum 1 weight .10000E+01 volume .12358E-02 ppm1 8.013 ppm2 10.268 CV 1
ASSI { 371}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 29 and name HN ))
2.500 .800 .800 peak 371 spectrum 1 weight .10000E+01 volume .31464E-02 ppm1 8.013 ppm2 8.402 CV 1
ASSI { 372}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 13 and name HE1 ))
3.100 1.200 1.200 peak 372 spectrum 1 weight .10000E+01 volume .79726E-03 ppm1 7.702 ppm2 10.268 CV 1
ASSI { 373}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 29 and name HD21))
1.900 .500 .500 peak 373 spectrum 1 weight .10000E+01 volume .16101E-01 ppm1 7.704 ppm2 8.015 CV 1
ASSI { 374}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 374 spectrum 1 weight .10000E+01 volume .15711E-02 ppm1 7.704 ppm2 8.402 CV 1
ASSI { 375}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HN ))
2.400 .700 .700 peak 375 spectrum 1 weight .10000E+01 volume .35550E-02 ppm1 8.399 ppm2 8.766 CV 1
ASSI { 376}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.800 1.000 1.000 peak 376 spectrum 1 weight .10000E+01 volume .16976E-02 ppm1 4.294 ppm2 7.918 CV 1
ASSI { 377}
( segid " " and resid 30 and name HG2%)
(( segid " " and resid 29 and name HD21))
3.100 1.200 1.200 peak 377 spectrum 1 weight .10000E+01 volume .85734E-03 ppm1 1.115 ppm2 8.017 CV 1
ASSI { 378}
( segid " " and resid 30 and name HG2%)
(( segid " " and resid 29 and name HD22))
3.700 1.700 1.700 peak 378 spectrum 1 weight .10000E+01 volume .29960E-03 ppm1 1.112 ppm2 7.706 CV 1
ASSI { 379}
( segid " " and resid 30 and name HG2%)
(( segid " " and resid 29 and name HN ))
3.000 1.100 1.100 peak 379 spectrum 1 weight .10000E+01 volume .11319E-02 ppm1 1.113 ppm2 8.402 CV 1
ASSI { 380}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HD21))
3.300 1.300 1.300 peak 380 spectrum 1 weight .10000E+01 volume .61848E-03 ppm1 6.645 ppm2 8.014 CV 1
ASSI { 381}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
2.500 .800 .800 peak 381 spectrum 1 weight .10000E+01 volume .29423E-02 ppm1 6.646 ppm2 8.402 CV 1
ASSI { 382}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HN ))
2.400 .700 .700 peak 382 spectrum 1 weight .10000E+01 volume .40008E-02 ppm1 6.647 ppm2 7.918 CV 1
ASSI { 383}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 30 and name HN ))
3.200 1.200 1.200 peak 383 spectrum 1 weight .10000E+01 volume .76766E-03 ppm1 3.722 ppm2 6.649 CV 1
ASSI { 384}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.200 .600 .600 peak 384 spectrum 1 weight .10000E+01 volume .74158E-02 ppm1 3.717 ppm2 7.916 CV 1
ASSI { 385}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.900 1.000 1.000 peak 385 spectrum 1 weight .10000E+01 volume .13586E-02 ppm1 2.063 ppm2 7.919 CV 1
ASSI { 386}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 386 spectrum 1 weight .10000E+01 volume .85607E-03 ppm1 1.806 ppm2 7.368 CV 1
ASSI { 387}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 387 spectrum 1 weight .10000E+01 volume .77624E-03 ppm1 1.595 ppm2 7.921 CV 1
OR { 387}
(( segid " " and resid 31 and name HD3 ))
(( segid " " and resid 31 and name HN ))
ASSI { 388}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 31 and name HN ))
2.500 .800 .800 peak 388 spectrum 1 weight .10000E+01 volume .30551E-02 ppm1 1.272 ppm2 7.918 CV 1
OR { 388}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HN ))
ASSI { 389}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 32 and name HN ))
3.300 1.300 1.300 peak 389 spectrum 1 weight .10000E+01 volume .60521E-03 ppm1 1.271 ppm2 7.373 CV 1
OR { 389}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 32 and name HN ))
ASSI { 390}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 390 spectrum 1 weight .10000E+01 volume .15139E-02 ppm1 7.914 ppm2 8.401 CV 1
ASSI { 391}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
3.700 1.700 1.700 peak 391 spectrum 1 weight .10000E+01 volume .29328E-03 ppm1 4.590 ppm2 7.372 CV 1
ASSI { 392}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
3.100 1.200 1.200 peak 392 spectrum 1 weight .10000E+01 volume .81692E-03 ppm1 4.590 ppm2 8.234 CV 1
ASSI { 393}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HN ))
2.800 1.000 1.000 peak 393 spectrum 1 weight .10000E+01 volume .15123E-02 ppm1 3.950 ppm2 7.371 CV 1
ASSI { 394}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 33 and name HN ))
2.400 .700 .700 peak 394 spectrum 1 weight .10000E+01 volume .39145E-02 ppm1 3.947 ppm2 8.234 CV 1
ASSI { 395}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 33 and name HN ))
2.400 .800 .800 peak 395 spectrum 1 weight .10000E+01 volume .34947E-02 ppm1 1.092 ppm2 8.235 CV 1
ASSI { 396}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 27 and name HN ))
3.000 1.100 1.100 peak 396 spectrum 1 weight .10000E+01 volume .10925E-02 ppm1 7.370 ppm2 8.173 CV 1
ASSI { 397}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
2.500 .800 .800 peak 397 spectrum 1 weight .10000E+01 volume .29848E-02 ppm1 7.371 ppm2 7.919 CV 1
ASSI { 398}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 27 and name HN ))
3.100 1.200 1.200 peak 398 spectrum 1 weight .10000E+01 volume .86795E-03 ppm1 5.159 ppm2 8.175 CV 1
ASSI { 399}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
3.100 1.200 1.200 peak 399 spectrum 1 weight .10000E+01 volume .90339E-03 ppm1 5.158 ppm2 8.234 CV 1
ASSI { 400}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.600 .900 .900 peak 400 spectrum 1 weight .10000E+01 volume .23409E-02 ppm1 5.158 ppm2 9.184 CV 1
ASSI { 401}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 24 and name HD% )
2.800 1.000 1.000 peak 401 spectrum 1 weight .10000E+01 volume .14493E-02 ppm1 3.829 ppm2 6.645 CV 1
ASSI { 402}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 24 and name HE% )
3.200 1.200 1.200 peak 402 spectrum 1 weight .10000E+01 volume .75731E-03 ppm1 3.828 ppm2 6.787 CV 1
ASSI { 403}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HN ))
2.900 1.000 1.000 peak 403 spectrum 1 weight .10000E+01 volume .13254E-02 ppm1 3.827 ppm2 8.235 CV 1
ASSI { 404}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 34 and name HN ))
2.800 1.000 1.000 peak 404 spectrum 1 weight .10000E+01 volume .16196E-02 ppm1 3.828 ppm2 9.182 CV 1
ASSI { 405}
( segid " " and resid 33 and name HG2%)
( segid " " and resid 24 and name HD% )
2.400 .700 .700 peak 405 spectrum 1 weight .10000E+01 volume .38886E-02 ppm1 .974 ppm2 6.646 CV 1
ASSI { 406}
( segid " " and resid 33 and name HG2%)
( segid " " and resid 24 and name HE% )
2.400 .700 .700 peak 406 spectrum 1 weight .10000E+01 volume .36361E-02 ppm1 .974 ppm2 6.787 CV 1
ASSI { 407}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 24 and name HZ ))
3.000 1.100 1.100 peak 407 spectrum 1 weight .10000E+01 volume .10219E-02 ppm1 .974 ppm2 7.038 CV 1
ASSI { 408}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 25 and name HN ))
3.300 1.300 1.300 peak 408 spectrum 1 weight .10000E+01 volume .60527E-03 ppm1 .972 ppm2 8.793 CV 1
ASSI { 409}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 26 and name HN ))
3.300 1.300 1.300 peak 409 spectrum 1 weight .10000E+01 volume .62694E-03 ppm1 .973 ppm2 9.150 CV 1
ASSI { 410}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 27 and name HN ))
2.900 1.100 1.100 peak 410 spectrum 1 weight .10000E+01 volume .11971E-02 ppm1 .973 ppm2 8.174 CV 1
ASSI { 411}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HN ))
2.700 .900 .900 peak 411 spectrum 1 weight .10000E+01 volume .19099E-02 ppm1 .973 ppm2 8.234 CV 1
ASSI { 412}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 34 and name HN ))
2.700 .900 .900 peak 412 spectrum 1 weight .10000E+01 volume .19053E-02 ppm1 .973 ppm2 9.185 CV 1
ASSI { 413}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
3.500 1.500 1.500 peak 413 spectrum 1 weight .10000E+01 volume .40435E-03 ppm1 4.835 ppm2 9.185 CV 1
ASSI { 414}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
3.000 1.100 1.100 peak 414 spectrum 1 weight .10000E+01 volume .99551E-03 ppm1 4.836 ppm2 8.668 CV 1
ASSI { 415}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 13 and name HZ3 ))
3.100 1.200 1.200 peak 415 spectrum 1 weight .10000E+01 volume .87786E-03 ppm1 4.335 ppm2 6.787 CV 1
ASSI { 416}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 416 spectrum 1 weight .10000E+01 volume .78230E-03 ppm1 4.339 ppm2 9.185 CV 1
ASSI { 417}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 35 and name HN ))
2.900 1.000 1.000 peak 417 spectrum 1 weight .10000E+01 volume .12946E-02 ppm1 4.338 ppm2 8.667 CV 1
ASSI { 418}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 13 and name HE3 ))
2.700 .900 .900 peak 418 spectrum 1 weight .10000E+01 volume .20487E-02 ppm1 1.532 ppm2 7.280 CV 1
ASSI { 419}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 13 and name HH2 ))
2.300 .700 .700 peak 419 spectrum 1 weight .10000E+01 volume .50137E-02 ppm1 1.531 ppm2 7.093 CV 1
ASSI { 420}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 13 and name HZ2 ))
2.800 1.000 1.000 peak 420 spectrum 1 weight .10000E+01 volume .16801E-02 ppm1 1.532 ppm2 7.374 CV 1
ASSI { 421}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 13 and name HZ3 ))
2.200 .600 .600 peak 421 spectrum 1 weight .10000E+01 volume .67834E-02 ppm1 1.533 ppm2 6.786 CV 1
ASSI { 422}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 25 and name HN ))
2.900 1.100 1.100 peak 422 spectrum 1 weight .10000E+01 volume .11781E-02 ppm1 1.530 ppm2 8.798 CV 1
ASSI { 423}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 34 and name HN ))
2.400 .700 .700 peak 423 spectrum 1 weight .10000E+01 volume .37495E-02 ppm1 1.530 ppm2 9.184 CV 1
ASSI { 424}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 35 and name HN ))
2.700 .900 .900 peak 424 spectrum 1 weight .10000E+01 volume .18619E-02 ppm1 1.530 ppm2 8.668 CV 1
ASSI { 425}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 36 and name HN ))
2.500 .800 .800 peak 425 spectrum 1 weight .10000E+01 volume .34514E-02 ppm1 1.531 ppm2 8.681 CV 1
ASSI { 426}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 24 and name HD% )
3.200 1.300 1.300 peak 426 spectrum 1 weight .10000E+01 volume .75095E-03 ppm1 5.070 ppm2 6.645 CV 1
ASSI { 427}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 25 and name HD% )
2.900 1.100 1.100 peak 427 spectrum 1 weight .10000E+01 volume .12738E-02 ppm1 5.069 ppm2 7.028 CV 1
ASSI { 428}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 25 and name HE% )
3.600 1.600 1.600 peak 428 spectrum 1 weight .10000E+01 volume .34458E-03 ppm1 5.072 ppm2 7.196 CV 1
ASSI { 429}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 25 and name HN ))
3.000 1.100 1.100 peak 429 spectrum 1 weight .10000E+01 volume .11396E-02 ppm1 5.067 ppm2 8.800 CV 1
ASSI { 430}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HD1 ))
3.000 1.100 1.100 peak 430 spectrum 1 weight .10000E+01 volume .11356E-02 ppm1 5.069 ppm2 7.370 CV 1
ASSI { 431}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HE3 ))
2.600 .800 .800 peak 431 spectrum 1 weight .10000E+01 volume .26151E-02 ppm1 5.070 ppm2 8.156 CV 1
ASSI { 432}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.900 1.100 1.100 peak 432 spectrum 1 weight .10000E+01 volume .11578E-02 ppm1 5.067 ppm2 8.667 CV 1
ASSI { 433}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HZ3 ))
3.100 1.200 1.200 peak 433 spectrum 1 weight .10000E+01 volume .84677E-03 ppm1 5.069 ppm2 7.014 CV 1
ASSI { 434}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
3.000 1.100 1.100 peak 434 spectrum 1 weight .10000E+01 volume .10369E-02 ppm1 5.067 ppm2 8.684 CV 1
ASSI { 435}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HE1 ))
4.000 2.000 2.000 peak 435 spectrum 1 weight .10000E+01 volume .17317E-03 ppm1 3.710 ppm2 10.000 CV 1
ASSI { 436}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HE3 ))
2.700 .900 .900 peak 436 spectrum 1 weight .10000E+01 volume .19994E-02 ppm1 3.707 ppm2 8.157 CV 1
ASSI { 437}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
2.700 .900 .900 peak 437 spectrum 1 weight .10000E+01 volume .19055E-02 ppm1 3.710 ppm2 8.666 CV 1
ASSI { 438}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 36 and name HN ))
3.100 1.200 1.200 peak 438 spectrum 1 weight .10000E+01 volume .84370E-03 ppm1 3.711 ppm2 8.685 CV 1
ASSI { 439}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HD1 ))
2.200 .600 .600 peak 439 spectrum 1 weight .10000E+01 volume .72499E-02 ppm1 3.151 ppm2 7.370 CV 1
ASSI { 440}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HE1 ))
3.300 1.300 1.300 peak 440 spectrum 1 weight .10000E+01 volume .62796E-03 ppm1 3.151 ppm2 10.003 CV 1
ASSI { 441}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HE3 ))
2.900 1.000 1.000 peak 441 spectrum 1 weight .10000E+01 volume .13044E-02 ppm1 3.151 ppm2 8.157 CV 1
ASSI { 442}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HN ))
2.600 .800 .800 peak 442 spectrum 1 weight .10000E+01 volume .25006E-02 ppm1 3.150 ppm2 8.667 CV 1
ASSI { 443}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 36 and name HN ))
2.800 1.000 1.000 peak 443 spectrum 1 weight .10000E+01 volume .14282E-02 ppm1 3.151 ppm2 8.685 CV 1
ASSI { 444}
(( segid " " and resid 35 and name HD1 ))
(( segid " " and resid 35 and name HE1 ))
2.000 .500 .500 peak 444 spectrum 1 weight .10000E+01 volume .13682E-01 ppm1 7.367 ppm2 10.002 CV 1
ASSI { 445}
(( segid " " and resid 35 and name HD1 ))
(( segid " " and resid 35 and name HN ))
2.700 .900 .900 peak 445 spectrum 1 weight .10000E+01 volume .18064E-02 ppm1 7.368 ppm2 8.667 CV 1
ASSI { 446}
(( segid " " and resid 35 and name HE3 ))
(( segid " " and resid 24 and name HN ))
3.200 1.300 1.300 peak 446 spectrum 1 weight .10000E+01 volume .74390E-03 ppm1 8.156 ppm2 8.787 CV 1
ASSI { 447}
(( segid " " and resid 35 and name HH2 ))
(( segid " " and resid 35 and name HE3 ))
2.900 1.000 1.000 peak 447 spectrum 1 weight .10000E+01 volume .13339E-02 ppm1 6.936 ppm2 8.155 CV 1
ASSI { 448}
(( segid " " and resid 35 and name HH2 ))
(( segid " " and resid 35 and name HZ2 ))
2.100 .500 .500 peak 448 spectrum 1 weight .10000E+01 volume .91366E-02 ppm1 6.933 ppm2 7.296 CV 1
ASSI { 449}
(( segid " " and resid 35 and name HH2 ))
(( segid " " and resid 35 and name HZ3 ))
2.100 .600 .600 peak 449 spectrum 1 weight .10000E+01 volume .78640E-02 ppm1 6.933 ppm2 7.014 CV 1
ASSI { 450}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HE1 ))
3.400 1.400 1.400 peak 450 spectrum 1 weight .10000E+01 volume .48578E-03 ppm1 8.669 ppm2 10.003 CV 1
ASSI { 451}
(( segid " " and resid 35 and name HZ2 ))
(( segid " " and resid 35 and name HE1 ))
2.300 .600 .600 peak 451 spectrum 1 weight .10000E+01 volume .55027E-02 ppm1 7.292 ppm2 10.002 CV 1
ASSI { 452}
(( segid " " and resid 35 and name HZ3 ))
(( segid " " and resid 35 and name HE3 ))
2.200 .600 .600 peak 452 spectrum 1 weight .10000E+01 volume .63231E-02 ppm1 7.009 ppm2 8.155 CV 1
ASSI { 453}
(( segid " " and resid 35 and name HZ3 ))
(( segid " " and resid 35 and name HZ2 ))
2.600 .800 .800 peak 453 spectrum 1 weight .10000E+01 volume .26782E-02 ppm1 7.014 ppm2 7.294 CV 1
ASSI { 454}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
2.700 .900 .900 peak 454 spectrum 1 weight .10000E+01 volume .17778E-02 ppm1 4.316 ppm2 8.686 CV 1
ASSI { 455}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HN ))
2.700 .900 .900 peak 455 spectrum 1 weight .10000E+01 volume .18583E-02 ppm1 2.236 ppm2 8.684 CV 1
ASSI { 456}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 37 and name HN ))
3.000 1.100 1.100 peak 456 spectrum 1 weight .10000E+01 volume .11075E-02 ppm1 2.237 ppm2 8.135 CV 1
ASSI { 457}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HN ))
2.800 1.000 1.000 peak 457 spectrum 1 weight .10000E+01 volume .14313E-02 ppm1 2.136 ppm2 8.684 CV 1
ASSI { 458}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 37 and name HN ))
3.000 1.100 1.100 peak 458 spectrum 1 weight .10000E+01 volume .10686E-02 ppm1 2.138 ppm2 8.135 CV 1
ASSI { 459}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 35 and name HD1 ))
3.000 1.100 1.100 peak 459 spectrum 1 weight .10000E+01 volume .10404E-02 ppm1 1.897 ppm2 7.369 CV 1
OR { 459}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 35 and name HD1 ))
ASSI { 460}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 35 and name HE1 ))
3.100 1.200 1.200 peak 460 spectrum 1 weight .10000E+01 volume .80904E-03 ppm1 1.894 ppm2 10.000 CV 1
OR { 460}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 35 and name HE1 ))
ASSI { 461}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HN ))
2.300 .600 .600 peak 461 spectrum 1 weight .10000E+01 volume .55020E-02 ppm1 1.890 ppm2 8.684 CV 1
OR { 461}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HN ))
ASSI { 462}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 37 and name HN ))
2.400 .700 .700 peak 462 spectrum 1 weight .10000E+01 volume .38482E-02 ppm1 1.892 ppm2 8.135 CV 1
OR { 462}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 37 and name HN ))
ASSI { 463}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 25 and name HE% )
2.900 1.100 1.100 peak 463 spectrum 1 weight .10000E+01 volume .11586E-02 ppm1 2.831 ppm2 7.195 CV 1
ASSI { 464}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 25 and name HZ ))
3.300 1.400 1.400 peak 464 spectrum 1 weight .10000E+01 volume .59198E-03 ppm1 2.832 ppm2 7.243 CV 1
ASSI { 465}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HN ))
2.700 .900 .900 peak 465 spectrum 1 weight .10000E+01 volume .18285E-02 ppm1 2.826 ppm2 8.136 CV 1
ASSI { 466}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 39 and name HN ))
3.300 1.400 1.400 peak 466 spectrum 1 weight .10000E+01 volume .55670E-03 ppm1 2.826 ppm2 8.279 CV 1
ASSI { 467}
(( segid " " and resid 37 and name HB2 ))
( segid " " and resid 25 and name HE% )
2.800 1.000 1.000 peak 467 spectrum 1 weight .10000E+01 volume .14104E-02 ppm1 2.618 ppm2 7.193 CV 1
ASSI { 468}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 25 and name HZ ))
2.900 1.000 1.000 peak 468 spectrum 1 weight .10000E+01 volume .13042E-02 ppm1 2.618 ppm2 7.245 CV 1
ASSI { 469}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HN ))
2.200 .600 .600 peak 469 spectrum 1 weight .10000E+01 volume .61223E-02 ppm1 2.619 ppm2 8.136 CV 1
ASSI { 470}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 39 and name HN ))
3.200 1.300 1.300 peak 470 spectrum 1 weight .10000E+01 volume .68139E-03 ppm1 2.620 ppm2 8.279 CV 1
ASSI { 471}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HN ))
2.200 .600 .600 peak 471 spectrum 1 weight .10000E+01 volume .75629E-02 ppm1 2.288 ppm2 8.135 CV 1
ASSI { 472}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 39 and name HN ))
3.500 1.600 1.600 peak 472 spectrum 1 weight .10000E+01 volume .39518E-03 ppm1 2.289 ppm2 8.278 CV 1
ASSI { 473}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HN ))
3.000 1.100 1.100 peak 473 spectrum 1 weight .10000E+01 volume .10100E-02 ppm1 8.139 ppm2 8.682 CV 1
ASSI { 474}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
2.700 .900 .900 peak 474 spectrum 1 weight .10000E+01 volume .17625E-02 ppm1 3.964 ppm2 8.278 CV 1
ASSI { 475}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 40 and name HN ))
3.200 1.300 1.300 peak 475 spectrum 1 weight .10000E+01 volume .64627E-03 ppm1 3.965 ppm2 7.246 CV 1
ASSI { 476}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 13 and name HE1 ))
3.500 1.600 1.600 peak 476 spectrum 1 weight .10000E+01 volume .38532E-03 ppm1 .955 ppm2 10.265 CV 1
OR { 476}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 13 and name HE1 ))
ASSI { 477}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 13 and name HH2 ))
3.100 1.200 1.200 peak 477 spectrum 1 weight .10000E+01 volume .87750E-03 ppm1 .959 ppm2 7.095 CV 1
OR { 477}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 13 and name HH2 ))
ASSI { 478}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 13 and name HZ2 ))
3.000 1.100 1.100 peak 478 spectrum 1 weight .10000E+01 volume .97763E-03 ppm1 .963 ppm2 7.375 CV 1
OR { 478}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 13 and name HZ2 ))
ASSI { 479}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 39 and name HN ))
3.100 1.200 1.200 peak 479 spectrum 1 weight .10000E+01 volume .86607E-03 ppm1 .956 ppm2 8.277 CV 1
OR { 479}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HN ))
ASSI { 480}
(( segid " " and resid 38 and name HD2 ))
( segid " " and resid 25 and name HD% )
3.400 1.400 1.400 peak 480 spectrum 1 weight .10000E+01 volume .51599E-03 ppm1 2.735 ppm2 7.027 CV 1
ASSI { 481}
(( segid " " and resid 38 and name HD2 ))
( segid " " and resid 25 and name HE% )
3.400 1.400 1.400 peak 481 spectrum 1 weight .10000E+01 volume .50217E-03 ppm1 2.735 ppm2 7.194 CV 1
ASSI { 482}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 37 and name HN ))
3.300 1.300 1.300 peak 482 spectrum 1 weight .10000E+01 volume .61769E-03 ppm1 2.734 ppm2 8.135 CV 1
ASSI { 483}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 39 and name HN ))
3.100 1.200 1.200 peak 483 spectrum 1 weight .10000E+01 volume .86770E-03 ppm1 2.736 ppm2 8.279 CV 1
ASSI { 484}
(( segid " " and resid 38 and name HD3 ))
( segid " " and resid 25 and name HD% )
3.200 1.300 1.300 peak 484 spectrum 1 weight .10000E+01 volume .74969E-03 ppm1 2.696 ppm2 7.027 CV 1
ASSI { 485}
(( segid " " and resid 38 and name HD3 ))
( segid " " and resid 25 and name HE% )
3.200 1.300 1.300 peak 485 spectrum 1 weight .10000E+01 volume .69623E-03 ppm1 2.695 ppm2 7.194 CV 1
ASSI { 486}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 39 and name HN ))
3.000 1.100 1.100 peak 486 spectrum 1 weight .10000E+01 volume .99801E-03 ppm1 2.696 ppm2 8.279 CV 1
ASSI { 487}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 13 and name HE3 ))
3.300 1.300 1.300 peak 487 spectrum 1 weight .10000E+01 volume .62635E-03 ppm1 .638 ppm2 7.280 CV 1
ASSI { 488}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 39 and name HN ))
3.000 1.100 1.100 peak 488 spectrum 1 weight .10000E+01 volume .10694E-02 ppm1 .630 ppm2 8.277 CV 1
ASSI { 489}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 13 and name HE3 ))
3.200 1.300 1.300 peak 489 spectrum 1 weight .10000E+01 volume .65861E-03 ppm1 .322 ppm2 7.281 CV 1
ASSI { 490}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 39 and name HN ))
3.200 1.300 1.300 peak 490 spectrum 1 weight .10000E+01 volume .68685E-03 ppm1 .326 ppm2 8.277 CV 1
ASSI { 491}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HE ))
3.300 1.400 1.400 peak 491 spectrum 1 weight .10000E+01 volume .58554E-03 ppm1 3.899 ppm2 8.725 CV 1
ASSI { 492}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
2.500 .800 .800 peak 492 spectrum 1 weight .10000E+01 volume .30034E-02 ppm1 3.900 ppm2 8.278 CV 1
ASSI { 493}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HN ))
2.800 1.000 1.000 peak 493 spectrum 1 weight .10000E+01 volume .16737E-02 ppm1 3.901 ppm2 7.245 CV 1
ASSI { 494}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HE ))
2.700 .900 .900 peak 494 spectrum 1 weight .10000E+01 volume .18970E-02 ppm1 1.557 ppm2 8.726 CV 1
ASSI { 495}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.400 .700 .700 peak 495 spectrum 1 weight .10000E+01 volume .38432E-02 ppm1 1.565 ppm2 8.278 CV 1
ASSI { 496}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HE ))
2.900 1.000 1.000 peak 496 spectrum 1 weight .10000E+01 volume .13445E-02 ppm1 1.182 ppm2 8.726 CV 1
ASSI { 497}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HN ))
2.500 .800 .800 peak 497 spectrum 1 weight .10000E+01 volume .29085E-02 ppm1 1.184 ppm2 8.278 CV 1
ASSI { 498}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HE ))
2.600 .900 .900 peak 498 spectrum 1 weight .10000E+01 volume .23945E-02 ppm1 2.939 ppm2 8.724 CV 1
OR { 498}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HE ))
ASSI { 499}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HH12))
3.000 1.100 1.100 peak 499 spectrum 1 weight .10000E+01 volume .10939E-02 ppm1 2.937 ppm2 6.683 CV 1
OR { 499}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HH12))
OR { 499}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HH11))
OR { 499}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HH22))
OR { 499}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HH11))
OR { 499}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HH22))
OR { 499}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HH21))
OR { 499}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HH21))
ASSI { 500}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HN ))
2.800 1.000 1.000 peak 500 spectrum 1 weight .10000E+01 volume .16349E-02 ppm1 2.941 ppm2 8.278 CV 1
OR { 500}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 501}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HE ))
2.800 1.000 1.000 peak 501 spectrum 1 weight .10000E+01 volume .15518E-02 ppm1 1.794 ppm2 8.726 CV 1
ASSI { 502}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HN ))
2.600 .800 .800 peak 502 spectrum 1 weight .10000E+01 volume .26904E-02 ppm1 1.794 ppm2 8.278 CV 1
ASSI { 503}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HE ))
2.800 1.000 1.000 peak 503 spectrum 1 weight .10000E+01 volume .14633E-02 ppm1 1.648 ppm2 8.727 CV 1
ASSI { 504}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HN ))
2.600 .800 .800 peak 504 spectrum 1 weight .10000E+01 volume .24943E-02 ppm1 1.647 ppm2 8.280 CV 1
ASSI { 505}
(( segid " " and resid 39 and name HH22))
(( segid " " and resid 39 and name HE ))
3.200 1.300 1.300 peak 505 spectrum 1 weight .10000E+01 volume .71344E-03 ppm1 6.682 ppm2 8.724 CV 1
OR { 505}
(( segid " " and resid 39 and name HH21))
(( segid " " and resid 39 and name HE ))
OR { 505}
(( segid " " and resid 39 and name HH12))
(( segid " " and resid 39 and name HE ))
OR { 505}
(( segid " " and resid 39 and name HH11))
(( segid " " and resid 39 and name HE ))
ASSI { 506}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HE ))
2.900 1.100 1.100 peak 506 spectrum 1 weight .10000E+01 volume .11702E-02 ppm1 8.276 ppm2 8.724 CV 1
ASSI { 507}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
2.700 .900 .900 peak 507 spectrum 1 weight .10000E+01 volume .17582E-02 ppm1 4.267 ppm2 7.245 CV 1
ASSI { 508}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HN ))
2.700 .900 .900 peak 508 spectrum 1 weight .10000E+01 volume .18507E-02 ppm1 4.267 ppm2 7.205 CV 1
ASSI { 509}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HN ))
2.200 .600 .600 peak 509 spectrum 1 weight .10000E+01 volume .66959E-02 ppm1 1.582 ppm2 7.246 CV 1
OR { 509}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HN ))
ASSI { 510}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 39 and name HN ))
3.300 1.400 1.400 peak 510 spectrum 1 weight .10000E+01 volume .57761E-03 ppm1 .888 ppm2 8.277 CV 1
ASSI { 511}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 40 and name HN ))
2.800 1.000 1.000 peak 511 spectrum 1 weight .10000E+01 volume .15392E-02 ppm1 .882 ppm2 7.242 CV 1
ASSI { 512}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 41 and name HN ))
3.200 1.300 1.300 peak 512 spectrum 1 weight .10000E+01 volume .72297E-03 ppm1 .880 ppm2 7.205 CV 1
ASSI { 513}
( segid " " and resid 40 and name HD2%)
(( segid " " and resid 39 and name HN ))
3.400 1.500 1.500 peak 513 spectrum 1 weight .10000E+01 volume .46115E-03 ppm1 .734 ppm2 8.277 CV 1
ASSI { 514}
( segid " " and resid 40 and name HD2%)
(( segid " " and resid 40 and name HN ))
2.800 1.000 1.000 peak 514 spectrum 1 weight .10000E+01 volume .16959E-02 ppm1 .729 ppm2 7.242 CV 1
ASSI { 515}
(( segid " " and resid 40 and name HG ))
(( segid " " and resid 39 and name HN ))
3.300 1.300 1.300 peak 515 spectrum 1 weight .10000E+01 volume .61017E-03 ppm1 1.359 ppm2 8.279 CV 1
ASSI { 516}
(( segid " " and resid 40 and name HG ))
(( segid " " and resid 40 and name HN ))
2.500 .800 .800 peak 516 spectrum 1 weight .10000E+01 volume .29073E-02 ppm1 1.353 ppm2 7.246 CV 1
ASSI { 517}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HN ))
2.400 .700 .700 peak 517 spectrum 1 weight .10000E+01 volume .44675E-02 ppm1 7.245 ppm2 8.279 CV 1
ASSI { 518}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
2.500 .800 .800 peak 518 spectrum 1 weight .10000E+01 volume .34537E-02 ppm1 4.020 ppm2 7.207 CV 1
ASSI { 519}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HN ))
2.800 1.000 1.000 peak 519 spectrum 1 weight .10000E+01 volume .15998E-02 ppm1 1.717 ppm2 7.205 CV 1
OR { 519}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HN ))
ASSI { 520}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 40 and name HN ))
3.100 1.200 1.200 peak 520 spectrum 1 weight .10000E+01 volume .92577E-03 ppm1 1.272 ppm2 7.239 CV 1
OR { 520}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 40 and name HN ))
ASSI { 521}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HN ))
2.800 1.000 1.000 peak 521 spectrum 1 weight .10000E+01 volume .15985E-02 ppm1 1.268 ppm2 7.210 CV 1
OR { 521}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 41 and name HN ))
ASSI { 522}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HN ))
2.900 1.000 1.000 peak 522 spectrum 1 weight .10000E+01 volume .14083E-02 ppm1 7.209 ppm2 8.279 CV 1
ASSI { 3}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HD2 ))
3.300 1.300 1.300 peak 3 spectrum 2 weight .10000E+01 volume .20039E-03 ppm1 1.721 ppm2 3.216 CV 1
ASSI { 4}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HD3 ))
3.200 1.300 1.300 peak 4 spectrum 2 weight .10000E+01 volume .21867E-03 ppm1 1.721 ppm2 2.609 CV 1
ASSI { 5}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 13 and name HA ))
3.900 1.900 1.900 peak 5 spectrum 2 weight .10000E+01 volume .69916E-04 ppm1 1.720 ppm2 5.774 CV 1
ASSI { 6}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 13 and name HB2 ))
3.200 1.300 1.300 peak 6 spectrum 2 weight .10000E+01 volume .23504E-03 ppm1 1.721 ppm2 3.295 CV 1
ASSI { 7}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 13 and name HB3 ))
3.400 1.500 1.500 peak 7 spectrum 2 weight .10000E+01 volume .15110E-03 ppm1 1.719 ppm2 3.003 CV 1
ASSI { 8}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 10 and name HD2 ))
3.300 1.400 1.400 peak 8 spectrum 2 weight .10000E+01 volume .17934E-03 ppm1 1.377 ppm2 3.216 CV 1
ASSI { 9}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 10 and name HD3 ))
3.000 1.100 1.100 peak 9 spectrum 2 weight .10000E+01 volume .35201E-03 ppm1 1.377 ppm2 2.607 CV 1
ASSI { 10}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 13 and name HA ))
3.600 1.600 1.600 peak 10 spectrum 2 weight .10000E+01 volume .11106E-03 ppm1 1.369 ppm2 5.776 CV 1
ASSI { 11}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 13 and name HB2 ))
3.200 1.300 1.300 peak 11 spectrum 2 weight .10000E+01 volume .23935E-03 ppm1 1.379 ppm2 3.295 CV 1
ASSI { 12}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 13 and name HB3 ))
3.300 1.400 1.400 peak 12 spectrum 2 weight .10000E+01 volume .17325E-03 ppm1 1.377 ppm2 3.003 CV 1
ASSI { 13}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 10 and name HD2 ))
3.400 1.500 1.500 peak 13 spectrum 2 weight .10000E+01 volume .15401E-03 ppm1 1.020 ppm2 3.217 CV 1
ASSI { 14}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 10 and name HD3 ))
3.500 1.500 1.500 peak 14 spectrum 2 weight .10000E+01 volume .12852E-03 ppm1 1.020 ppm2 2.609 CV 1
ASSI { 15}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 13 and name HA ))
3.600 1.600 1.600 peak 15 spectrum 2 weight .10000E+01 volume .11950E-03 ppm1 1.019 ppm2 5.775 CV 1
ASSI { 16}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 13 and name HB2 ))
3.000 1.200 1.200 peak 16 spectrum 2 weight .10000E+01 volume .31086E-03 ppm1 1.020 ppm2 3.297 CV 1
ASSI { 17}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 13 and name HB3 ))
3.100 1.200 1.200 peak 17 spectrum 2 weight .10000E+01 volume .24951E-03 ppm1 1.019 ppm2 3.004 CV 1
ASSI { 18}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 14 and name HA ))
3.600 1.600 1.600 peak 18 spectrum 2 weight .10000E+01 volume .11202E-03 ppm1 1.019 ppm2 4.745 CV 1
ASSI { 19}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 15 and name HA ))
3.400 1.400 1.400 peak 19 spectrum 2 weight .10000E+01 volume .15820E-03 ppm1 1.020 ppm2 4.891 CV 1
ASSI { 20}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 15 and name HG3 ))
3.400 1.400 1.400 peak 20 spectrum 2 weight .10000E+01 volume .16698E-03 ppm1 1.020 ppm2 1.891 CV 1
OR { 20}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 15 and name HG2 ))
ASSI { 21}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 25 and name HA ))
3.700 1.700 1.700 peak 21 spectrum 2 weight .10000E+01 volume .97894E-04 ppm1 1.016 ppm2 5.280 CV 1
ASSI { 22}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 25 and name HB2 ))
3.800 1.800 1.800 peak 22 spectrum 2 weight .10000E+01 volume .83519E-04 ppm1 1.020 ppm2 3.164 CV 1
OR { 22}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 25 and name HB3 ))
ASSI { 23}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 39 and name HD2 ))
3.400 1.500 1.500 peak 23 spectrum 2 weight .10000E+01 volume .15231E-03 ppm1 1.020 ppm2 2.946 CV 1
OR { 23}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 39 and name HD3 ))
ASSI { 24}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 10 and name HD2 ))
2.900 1.100 1.100 peak 24 spectrum 2 weight .10000E+01 volume .40530E-03 ppm1 .774 ppm2 3.217 CV 1
ASSI { 25}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 10 and name HD3 ))
3.000 1.100 1.100 peak 25 spectrum 2 weight .10000E+01 volume .36207E-03 ppm1 .774 ppm2 2.609 CV 1
ASSI { 26}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 13 and name HA ))
3.800 1.800 1.800 peak 26 spectrum 2 weight .10000E+01 volume .81836E-04 ppm1 .778 ppm2 5.774 CV 1
ASSI { 27}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 13 and name HB2 ))
3.300 1.400 1.400 peak 27 spectrum 2 weight .10000E+01 volume .18270E-03 ppm1 .773 ppm2 3.297 CV 1
ASSI { 28}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 13 and name HB3 ))
3.300 1.300 1.300 peak 28 spectrum 2 weight .10000E+01 volume .20545E-03 ppm1 .774 ppm2 3.001 CV 1
ASSI { 29}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 25 and name HA ))
3.900 1.900 1.900 peak 29 spectrum 2 weight .10000E+01 volume .73016E-04 ppm1 .779 ppm2 5.283 CV 1
ASSI { 30}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 25 and name HB2 ))
3.300 1.400 1.400 peak 30 spectrum 2 weight .10000E+01 volume .17470E-03 ppm1 .776 ppm2 3.164 CV 1
OR { 30}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 25 and name HB3 ))
ASSI { 31}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 39 and name HD2 ))
2.700 .900 .900 peak 31 spectrum 2 weight .10000E+01 volume .57692E-03 ppm1 .774 ppm2 2.946 CV 1
OR { 31}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 39 and name HD3 ))
ASSI { 32}
(( segid " " and resid 9 and name HG ))
(( segid " " and resid 10 and name HD2 ))
3.600 1.700 1.700 peak 32 spectrum 2 weight .10000E+01 volume .10407E-03 ppm1 1.664 ppm2 3.216 CV 1
ASSI { 33}
(( segid " " and resid 9 and name HG ))
(( segid " " and resid 10 and name HD3 ))
3.600 1.600 1.600 peak 33 spectrum 2 weight .10000E+01 volume .11217E-03 ppm1 1.660 ppm2 2.609 CV 1
ASSI { 34}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 9 and name HA ))
2.800 1.000 1.000 peak 34 spectrum 2 weight .10000E+01 volume .47421E-03 ppm1 3.222 ppm2 4.204 CV 1
ASSI { 35}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 9 and name HA ))
3.000 1.100 1.100 peak 35 spectrum 2 weight .10000E+01 volume .33614E-03 ppm1 2.618 ppm2 4.203 CV 1
ASSI { 36}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 27 and name HA ))
3.600 1.600 1.600 peak 36 spectrum 2 weight .10000E+01 volume .11349E-03 ppm1 3.289 ppm2 3.554 CV 1
ASSI { 37}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 27 and name HA ))
3.600 1.600 1.600 peak 37 spectrum 2 weight .10000E+01 volume .10714E-03 ppm1 3.010 ppm2 3.553 CV 1
ASSI { 38}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 13 and name HA ))
3.900 1.900 1.900 peak 38 spectrum 2 weight .10000E+01 volume .67178E-04 ppm1 2.041 ppm2 5.775 CV 1
ASSI { 39}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 13 and name HA ))
3.800 1.800 1.800 peak 39 spectrum 2 weight .10000E+01 volume .81595E-04 ppm1 2.005 ppm2 5.775 CV 1
ASSI { 40}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 25 and name HA ))
2.800 1.000 1.000 peak 40 spectrum 2 weight .10000E+01 volume .46817E-03 ppm1 4.895 ppm2 5.282 CV 1
ASSI { 41}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 25 and name HA ))
3.500 1.500 1.500 peak 41 spectrum 2 weight .10000E+01 volume .13547E-03 ppm1 2.000 ppm2 5.285 CV 1
ASSI { 42}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 25 and name HA ))
3.700 1.700 1.700 peak 42 spectrum 2 weight .10000E+01 volume .96174E-04 ppm1 1.765 ppm2 5.285 CV 1
ASSI { 43}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 25 and name HA ))
3.500 1.600 1.600 peak 43 spectrum 2 weight .10000E+01 volume .12699E-03 ppm1 1.895 ppm2 5.285 CV 1
OR { 43}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 25 and name HA ))
ASSI { 44}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 23 and name HA ))
2.300 .700 .700 peak 44 spectrum 2 weight .10000E+01 volume .15847E-02 ppm1 4.305 ppm2 5.106 CV 1
ASSI { 45}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 23 and name HA ))
3.200 1.300 1.300 peak 45 spectrum 2 weight .10000E+01 volume .22064E-03 ppm1 1.780 ppm2 5.108 CV 1
ASSI { 46}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 23 and name HD3 ))
3.200 1.300 1.300 peak 46 spectrum 2 weight .10000E+01 volume .22587E-03 ppm1 1.792 ppm2 3.817 CV 1
ASSI { 47}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 23 and name HG3 ))
3.300 1.400 1.400 peak 47 spectrum 2 weight .10000E+01 volume .17699E-03 ppm1 1.793 ppm2 2.279 CV 1
OR { 47}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 48}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 15 and name HB2 ))
2.700 .900 .900 peak 48 spectrum 2 weight .10000E+01 volume .66461E-03 ppm1 .627 ppm2 2.040 CV 1
ASSI { 49}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 15 and name HG2 ))
3.500 1.600 1.600 peak 49 spectrum 2 weight .10000E+01 volume .12548E-03 ppm1 .627 ppm2 1.892 CV 1
OR { 49}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 15 and name HG3 ))
ASSI { 50}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 23 and name HA ))
2.500 .800 .800 peak 50 spectrum 2 weight .10000E+01 volume .96863E-03 ppm1 .627 ppm2 5.106 CV 1
ASSI { 51}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 23 and name HB3 ))
3.200 1.200 1.200 peak 51 spectrum 2 weight .10000E+01 volume .24377E-03 ppm1 .626 ppm2 1.646 CV 1
ASSI { 52}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 23 and name HD2 ))
3.700 1.700 1.700 peak 52 spectrum 2 weight .10000E+01 volume .98087E-04 ppm1 .628 ppm2 4.095 CV 1
ASSI { 53}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 23 and name HG3 ))
3.500 1.500 1.500 peak 53 spectrum 2 weight .10000E+01 volume .13793E-03 ppm1 .628 ppm2 2.286 CV 1
OR { 53}
( segid " " and resid 17 and name HD1%)
(( segid " " and resid 23 and name HG2 ))
ASSI { 54}
(( segid " " and resid 17 and name HG12))
(( segid " " and resid 23 and name HA ))
3.400 1.500 1.500 peak 54 spectrum 2 weight .10000E+01 volume .14974E-03 ppm1 1.312 ppm2 5.105 CV 1
ASSI { 55}
(( segid " " and resid 17 and name HG13))
(( segid " " and resid 23 and name HA ))
3.400 1.400 1.400 peak 55 spectrum 2 weight .10000E+01 volume .16558E-03 ppm1 1.174 ppm2 5.105 CV 1
ASSI { 56}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 15 and name HB2 ))
3.300 1.400 1.400 peak 56 spectrum 2 weight .10000E+01 volume .18804E-03 ppm1 .861 ppm2 2.041 CV 1
ASSI { 57}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 21 and name HA2 ))
3.000 1.100 1.100 peak 57 spectrum 2 weight .10000E+01 volume .36080E-03 ppm1 .863 ppm2 4.241 CV 1
ASSI { 59}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 23 and name HA ))
2.800 1.000 1.000 peak 59 spectrum 2 weight .10000E+01 volume .51190E-03 ppm1 .860 ppm2 5.106 CV 1
ASSI { 60}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 35 and name HA ))
3.700 1.700 1.700 peak 60 spectrum 2 weight .10000E+01 volume .89019E-04 ppm1 2.542 ppm2 5.089 CV 1
ASSI { 61}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 15 and name HA ))
3.800 1.800 1.800 peak 61 spectrum 2 weight .10000E+01 volume .77293E-04 ppm1 3.168 ppm2 4.894 CV 1
OR { 61}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 15 and name HA ))
ASSI { 62}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 33 and name HA ))
2.500 .800 .800 peak 62 spectrum 2 weight .10000E+01 volume .10567E-02 ppm1 4.244 ppm2 5.194 CV 1
ASSI { 63}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 14 and name HG2 ))
3.700 1.700 1.700 peak 63 spectrum 2 weight .10000E+01 volume .96084E-04 ppm1 1.260 ppm2 2.316 CV 1
OR { 63}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 14 and name HG3 ))
ASSI { 64}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 25 and name HA ))
4.000 2.000 2.000 peak 64 spectrum 2 weight .10000E+01 volume .56596E-04 ppm1 1.265 ppm2 5.280 CV 1
ASSI { 65}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 33 and name HA ))
3.800 1.800 1.800 peak 65 spectrum 2 weight .10000E+01 volume .76139E-04 ppm1 1.265 ppm2 5.196 CV 1
ASSI { 66}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 13 and name HA ))
4.100 2.100 1.900 peak 66 spectrum 2 weight .10000E+01 volume .48278E-04 ppm1 .040 ppm2 5.769 CV 1
ASSI { 67}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 14 and name HB2 ))
3.200 1.300 1.300 peak 67 spectrum 2 weight .10000E+01 volume .23843E-03 ppm1 .039 ppm2 2.049 CV 1
ASSI { 68}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 14 and name HB3 ))
3.200 1.300 1.300 peak 68 spectrum 2 weight .10000E+01 volume .21932E-03 ppm1 .039 ppm2 1.994 CV 1
ASSI { 69}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 25 and name HB3 ))
3.700 1.700 1.700 peak 69 spectrum 2 weight .10000E+01 volume .96519E-04 ppm1 .039 ppm2 3.154 CV 1
OR { 69}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 25 and name HB2 ))
ASSI { 70}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 27 and name HA ))
3.200 1.300 1.300 peak 70 spectrum 2 weight .10000E+01 volume .21175E-03 ppm1 .040 ppm2 3.554 CV 1
ASSI { 71}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 33 and name HA ))
3.100 1.200 1.200 peak 71 spectrum 2 weight .10000E+01 volume .28593E-03 ppm1 .040 ppm2 5.196 CV 1
ASSI { 72}
( segid " " and resid 26 and name HD1%)
( segid " " and resid 33 and name HG2%)
2.700 .900 .900 peak 72 spectrum 2 weight .10000E+01 volume .64965E-03 ppm1 .040 ppm2 .980 CV 1
ASSI { 73}
(( segid " " and resid 26 and name HG12))
(( segid " " and resid 25 and name HA ))
3.700 1.700 1.700 peak 73 spectrum 2 weight .10000E+01 volume .95724E-04 ppm1 1.174 ppm2 5.280 CV 1
ASSI { 74}
(( segid " " and resid 26 and name HG12))
(( segid " " and resid 33 and name HA ))
3.500 1.500 1.500 peak 74 spectrum 2 weight .10000E+01 volume .14205E-03 ppm1 1.176 ppm2 5.195 CV 1
ASSI { 75}
(( segid " " and resid 26 and name HG13))
(( segid " " and resid 33 and name HA ))
3.500 1.600 1.600 peak 75 spectrum 2 weight .10000E+01 volume .12710E-03 ppm1 .793 ppm2 5.192 CV 1
ASSI { 76}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 14 and name HB2 ))
2.900 1.100 1.100 peak 76 spectrum 2 weight .10000E+01 volume .39137E-03 ppm1 .548 ppm2 2.049 CV 1
ASSI { 77}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 14 and name HB3 ))
3.100 1.200 1.200 peak 77 spectrum 2 weight .10000E+01 volume .24882E-03 ppm1 .549 ppm2 1.994 CV 1
ASSI { 78}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 14 and name HG2 ))
3.800 1.800 1.800 peak 78 spectrum 2 weight .10000E+01 volume .86546E-04 ppm1 .549 ppm2 2.316 CV 1
OR { 78}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 14 and name HG3 ))
ASSI { 79}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 16 and name HD2 ))
3.200 1.300 1.300 peak 79 spectrum 2 weight .10000E+01 volume .23890E-03 ppm1 .549 ppm2 3.101 CV 1
ASSI { 80}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 16 and name HD3 ))
2.900 1.100 1.100 peak 80 spectrum 2 weight .10000E+01 volume .38129E-03 ppm1 .548 ppm2 2.889 CV 1
ASSI { 81}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 25 and name HA ))
3.500 1.500 1.500 peak 81 spectrum 2 weight .10000E+01 volume .13226E-03 ppm1 .554 ppm2 5.283 CV 1
ASSI { 82}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 33 and name HA ))
3.600 1.600 1.600 peak 82 spectrum 2 weight .10000E+01 volume .11346E-03 ppm1 .554 ppm2 5.193 CV 1
ASSI { 83}
( segid " " and resid 26 and name HG2%)
( segid " " and resid 33 and name HG2%)
2.800 1.000 1.000 peak 83 spectrum 2 weight .10000E+01 volume .47946E-03 ppm1 .548 ppm2 .980 CV 1
ASSI { 84}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 13 and name HA ))
2.600 .800 .800 peak 84 spectrum 2 weight .10000E+01 volume .77930E-03 ppm1 3.556 ppm2 5.772 CV 1
ASSI { 85}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 13 and name HA ))
3.800 1.800 1.800 peak 85 spectrum 2 weight .10000E+01 volume .82554E-04 ppm1 .094 ppm2 5.770 CV 1
ASSI { 86}
( segid " " and resid 30 and name HG2%)
(( segid " " and resid 29 and name HA ))
3.600 1.700 1.700 peak 86 spectrum 2 weight .10000E+01 volume .10502E-03 ppm1 1.114 ppm2 4.439 CV 1
ASSI { 87}
( segid " " and resid 30 and name HG2%)
(( segid " " and resid 29 and name HB2 ))
2.600 .900 .900 peak 87 spectrum 2 weight .10000E+01 volume .70582E-03 ppm1 1.113 ppm2 3.217 CV 1
ASSI { 88}
( segid " " and resid 30 and name HG2%)
(( segid " " and resid 29 and name HB3 ))
2.900 1.100 1.100 peak 88 spectrum 2 weight .10000E+01 volume .39156E-03 ppm1 1.115 ppm2 2.698 CV 1
ASSI { 89}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 28 and name HA ))
2.900 1.000 1.000 peak 89 spectrum 2 weight .10000E+01 volume .40930E-03 ppm1 3.733 ppm2 4.211 CV 1
ASSI { 90}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 33 and name HA ))
3.500 1.600 1.600 peak 90 spectrum 2 weight .10000E+01 volume .12341E-03 ppm1 1.093 ppm2 5.199 CV 1
ASSI { 91}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 34 and name HA ))
3.700 1.700 1.700 peak 91 spectrum 2 weight .10000E+01 volume .10222E-03 ppm1 1.094 ppm2 4.813 CV 1
ASSI { 92}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 26 and name HA ))
2.600 .800 .800 peak 92 spectrum 2 weight .10000E+01 volume .78395E-03 ppm1 .979 ppm2 4.244 CV 1
ASSI { 93}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 25 and name HA ))
3.200 1.300 1.300 peak 93 spectrum 2 weight .10000E+01 volume .20677E-03 ppm1 1.541 ppm2 5.284 CV 1
ASSI { 94}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 25 and name HB3 ))
2.500 .800 .800 peak 94 spectrum 2 weight .10000E+01 volume .10029E-02 ppm1 1.543 ppm2 3.162 CV 1
OR { 94}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 25 and name HB2 ))
ASSI { 95}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 33 and name HA ))
3.300 1.400 1.400 peak 95 spectrum 2 weight .10000E+01 volume .19165E-03 ppm1 1.541 ppm2 5.193 CV 1
ASSI { 96}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 36 and name HG3 ))
3.100 1.200 1.200 peak 96 spectrum 2 weight .10000E+01 volume .26680E-03 ppm1 1.541 ppm2 1.894 CV 1
OR { 96}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 36 and name HG2 ))
ASSI { 97}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 38 and name HD2 ))
3.600 1.600 1.600 peak 97 spectrum 2 weight .10000E+01 volume .10977E-03 ppm1 1.543 ppm2 2.731 CV 1
ASSI { 98}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 9 and name HA ))
3.100 1.200 1.200 peak 98 spectrum 2 weight .10000E+01 volume .26271E-03 ppm1 2.951 ppm2 4.204 CV 1
OR { 98}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 9 and name HA ))
ASSI { 99}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 37 and name HB2 ))
2.800 1.000 1.000 peak 99 spectrum 2 weight .10000E+01 volume .48712E-03 ppm1 .882 ppm2 2.622 CV 1
ASSI { 100}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 37 and name HB3 ))
3.200 1.300 1.300 peak 100 spectrum 2 weight .10000E+01 volume .20698E-03 ppm1 .882 ppm2 2.287 CV 1
ASSI { 101}
(( segid " " and resid 40 and name HG ))
(( segid " " and resid 37 and name HB2 ))
3.000 1.100 1.100 peak 101 spectrum 2 weight .10000E+01 volume .33840E-03 ppm1 1.357 ppm2 2.622 CV 1
ASSI { 102}
(( segid " " and resid 40 and name HG ))
(( segid " " and resid 37 and name HB3 ))
3.700 1.700 1.700 peak 102 spectrum 2 weight .10000E+01 volume .89260E-04 ppm1 1.357 ppm2 2.287 CV 1
ASSI { 525}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
2.400 .700 .700 peak 525 spectrum 1 weight .10000E+01 volume .39825E-02 ppm1 2.001 ppm2 8.886 CV 1
OR { 525}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
ASSI { 527}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
2.700 .900 .900 peak 527 spectrum 1 weight .10000E+01 volume .20285E-02 ppm1 2.518 ppm2 8.787 CV 1
OR { 527}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
ASSI { 529}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 25 and name HN ))
2.400 .700 .700 peak 529 spectrum 1 weight .10000E+01 volume .35942E-02 ppm1 7.026 ppm2 8.790 CV 1
OR { 529}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 24 and name HN ))
ASSI { 531}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 5 and name HN ))
2.300 .700 .700 peak 531 spectrum 1 weight .10000E+01 volume .45471E-02 ppm1 1.793 ppm2 7.924 CV 1
OR { 531}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HN ))
ASSI { 533}
( segid " " and resid 30 and name HG2%)
(( segid " " and resid 31 and name HN ))
2.500 .800 .800 peak 533 spectrum 1 weight .10000E+01 volume .30111E-02 ppm1 1.113 ppm2 7.919 CV 1
OR { 533}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 5 and name HN ))
ASSI { 535}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HN ))
2.600 .800 .800 peak 535 spectrum 1 weight .10000E+01 volume .24845E-02 ppm1 1.097 ppm2 7.372 CV 1
OR { 535}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 13 and name HZ2 ))
ASSI { 537}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 13 and name HD1 ))
2.300 .700 .700 peak 537 spectrum 1 weight .10000E+01 volume .45028E-02 ppm1 1.532 ppm2 7.029 CV 1
OR { 537}
( segid " " and resid 34 and name HG2%)
( segid " " and resid 25 and name HD% )
ASSI { 539}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 41 and name HN ))
2.300 .700 .700 peak 539 spectrum 1 weight .10000E+01 volume .49366E-02 ppm1 1.582 ppm2 7.205 CV 1
OR { 539}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 41 and name HN ))
OR { 539}
(( segid " " and resid 41 and name HD3 ))
(( segid " " and resid 41 and name HN ))
OR { 539}
(( segid " " and resid 41 and name HD2 ))
(( segid " " and resid 41 and name HN ))
ASSI { 541}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 25 and name HZ ))
2.600 .800 .800 peak 541 spectrum 1 weight .10000E+01 volume .24859E-02 ppm1 2.287 ppm2 7.245 CV 1
OR { 541}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 25 and name HZ ))
OR { 541}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 25 and name HZ ))
ASSI { 543}
(( segid " " and resid 23 and name HG2 ))
( segid " " and resid 25 and name HE% )
2.500 .800 .800 peak 543 spectrum 1 weight .10000E+01 volume .33842E-02 ppm1 2.287 ppm2 7.195 CV 1
OR { 543}
(( segid " " and resid 23 and name HG3 ))
( segid " " and resid 25 and name HE% )
OR { 543}
(( segid " " and resid 37 and name HB3 ))
( segid " " and resid 25 and name HE% )
ASSI { 545}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
2.100 .600 .600 peak 545 spectrum 1 weight .10000E+01 volume .77967E-02 ppm1 3.714 ppm2 7.370 CV 1
OR { 545}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HD1 ))
ASSI { 547}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HD1 ))
2.700 .900 .900 peak 547 spectrum 1 weight .10000E+01 volume .20328E-02 ppm1 5.766 ppm2 7.041 CV 1
OR { 547}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 28 and name HD2 ))
ASSI { 549}
(( segid " " and resid 26 and name HB ))
( segid " " and resid 24 and name HD% )
2.900 1.000 1.000 peak 549 spectrum 1 weight .10000E+01 volume .13187E-02 ppm1 1.270 ppm2 6.648 CV 1
OR { 549}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 24 and name HD% )
ASSI { 551}
( segid " " and resid 30 and name HG2%)
(( segid " " and resid 30 and name HN ))
2.700 .900 .900 peak 551 spectrum 1 weight .10000E+01 volume .20642E-02 ppm1 1.114 ppm2 6.649 CV 1
OR { 551}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 24 and name HD% )
OR { 551}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 24 and name HD% )
ASSI { 553}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 28 and name HD2 ))
2.600 .800 .800 peak 553 spectrum 1 weight .10000E+01 volume .27342E-02 ppm1 1.265 ppm2 7.043 CV 1
OR { 553}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 24 and name HZ ))
ASSI { 105}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 23 and name HA ))
3.400 1.500 1.500 peak 105 spectrum 2 weight .10000E+01 volume .15507E-03 ppm1 2.285 ppm2 5.090 CV 1
OR { 105}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 35 and name HA ))
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